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The crystal structures of β-1,2,3-tris(pentadecanoyl)glycerol (β-C15C15C15), β-1,2,3-tris(heptadecanoyl)glycerol (β-C17C17C17) and β-1,2,3-tris(nonadecanoyl)glycerol (β-C19C19C19) have been determined from high-resolution X-ray powder diffraction data. Grid search and Rietveld refinement have been used to determine and refine the structures, respectively. As in β-1,2,3-tris(tridecanoyl)glycerol (β-C13C13C13) and the even-numbered mono-acid triacylglycerols, all three odd-numbered monoacid triacylglycerols crystallize in space group P\bar 1 with Z = 2 in an asymmetric tuning-fork conformation and have a lateral acyl chain packing resulting in a layered structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768101016330/av0044sup1.cif
Contains datablocks global, C15C15C15, C17C17C17, C19C19C19

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S0108768101016330/av0044C15C15C15sup2.rtv
Contains datablocks global, C15C15C15, profile

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S0108768101016330/av0044C17C17C17sup3.rtv
Contains datablocks global, C17C17C17, profile

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S0108768101016330/av0044C19C19C19sup4.rtv
Contains datablocks global, C19C19C19, profile

CCDC references: 180216; 180217; 180218

Computing details top

For all compounds, cell refinement: MRIA; data reduction: MRIA; program(s) used to solve structure: MRIA; program(s) used to refine structure: MRIA. Molecular graphics: PLATON for C15C15C15, C17C17C17; MRIA for C19C19C19.

(C15C15C15) β-1,2,3-tris(pentadecanoyl)glycerol top
Crystal data top
C48H92O6γ = 121.125 (1)°
Mr = 765.26V = 2448.94 (4) Å3
Triclinic, P_1Z = 2
Hall symbol: -p_1Dx = 1.038 Mg m3
a = 11.89979 (8) ÅSynchrotron radiation, λ = 0.850047 Å
b = 46.3879 (4) ÅT = 243 K
c = 5.43998 (3) Åwhite
α = 72.359 (1)°cylinder, × 1.5 mm mm
β = 100.211 (1)°
Data collection top
ESRF BM16
diffractometer
Data collection mode: transmission
Radiation source: synchrotronScan method: continuous
Si(111) monochromator2θmin = 1.505°, 2θmax = 50.000°, 2θstep = 0.005°
Refinement top
Rp = 5.7492 parameters
Rwp = 8.0427 restraints
R(F) = InetH-atom parameters not refined
12204 data pointsBackground function: polynomal
Profile function: split-type pseudo VoigtPreferred orientation correction: 'Ahtee and Jarvinnen'
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
O1a0.3373 (8)0.45589 (13)0.6001 (12)0.0368 (13)*
O2a0.3044 (9)0.41872 (17)0.9855 (11)0.03680*
O1b0.3488 (7)0.53113 (13)0.6970 (12)0.03680*
O2b0.3789 (9)0.57165 (17)0.3250 (11)0.03680*
O1c0.1095 (5)0.47091 (17)0.7127 (12)0.03680*
O2c0.0629 (7)0.45956 (18)0.4485 (12)0.03680*
C10.3733 (7)0.48299 (16)0.7282 (15)0.0313 (4)*
C20.3296 (6)0.50730 (14)0.5561 (14)0.03130*
C30.1836 (5)0.48963 (18)0.4727 (13)0.03130*
C1a0.2971 (14)0.42360 (16)0.7569 (14)0.03130*
C2a0.2569 (8)0.39734 (14)0.6106 (14)0.03130*
C3a0.2755 (8)0.36628 (15)0.7660 (14)0.03130*
C4a0.2399 (8)0.34040 (14)0.6048 (14)0.03130*
C5a0.2530 (8)0.30929 (15)0.7491 (14)0.03130*
C6a0.1937 (8)0.27972 (14)0.6181 (15)0.03130*
C7a0.2354 (8)0.25223 (15)0.7390 (15)0.03130*
C8a0.1669 (8)0.22178 (15)0.6169 (15)0.03130*
C9a0.2045 (8)0.19389 (15)0.7306 (14)0.03130*
C10a0.1578 (8)0.16587 (15)0.5916 (14)0.03130*
C11a0.1919 (7)0.13748 (14)0.7240 (15)0.03130*
C12a0.1189 (8)0.10537 (14)0.6180 (14)0.03130*
C13a0.1505 (8)0.07657 (14)0.7736 (15)0.03130*
C14a0.1095 (8)0.04940 (15)0.6278 (15)0.03130*
C15a0.1545 (8)0.02306 (17)0.7535 (15)0.03130*
C1b0.3906 (13)0.56442 (17)0.5608 (14)0.03130*
C2b0.4180 (8)0.58727 (15)0.7254 (13)0.03130*
C3b0.3935 (8)0.61767 (15)0.5751 (14)0.03130*
C4b0.4292 (8)0.64404 (15)0.7194 (14)0.03130*
C5b0.3992 (8)0.67338 (15)0.5850 (14)0.03130*
C6b0.4618 (8)0.70144 (15)0.7391 (14)0.03130*
C7b0.4556 (7)0.73377 (14)0.5904 (14)0.03130*
C8b0.4485 (8)0.75459 (14)0.7478 (14)0.03130*
C9b0.4688 (8)0.78990 (14)0.5916 (14)0.03130*
C10b0.4879 (8)0.81409 (14)0.7436 (14)0.03130*
C11b0.4850 (8)0.84722 (15)0.5771 (13)0.03130*
C12b0.5423 (8)0.87549 (14)0.7185 (14)0.03130*
C13b0.4953 (8)0.90171 (15)0.6158 (15)0.03130*
C14b0.5564 (8)0.93151 (15)0.7382 (15)0.03130*
C15b0.5263 (8)0.96087 (16)0.6085 (17)0.03130*
C1c0.0190 (7)0.4486 (2)0.6547 (12)0.03130*
C2c0.0894 (7)0.43230 (15)0.9126 (13)0.03130*
C3c0.0528 (8)0.40396 (15)1.0738 (13)0.03130*
C4c0.0944 (8)0.37681 (15)0.9310 (14)0.03130*
C5c0.0586 (8)0.34816 (15)1.0797 (14)0.03130*
C6c0.1053 (8)0.32013 (15)0.9441 (14)0.03130*
C7c0.0830 (8)0.28989 (15)1.0907 (14)0.03130*
C8c0.1343 (8)0.26266 (15)0.9392 (14)0.03130*
C9c0.1113 (8)0.23226 (15)1.0681 (15)0.03130*
C10c0.1688 (8)0.20363 (15)0.9344 (14)0.03130*
C11c0.1441 (8)0.17349 (14)1.0813 (14)0.03130*
C12c0.1638 (8)0.14911 (14)0.9327 (14)0.03130*
C13c0.1604 (8)0.11566 (14)1.0864 (14)0.03130*
C14c0.2130 (8)0.08845 (15)0.9380 (14)0.03130*
C15c0.1978 (8)0.05677 (16)1.0628 (16)0.03130*
H110.3376 (19)0.4728 (4)0.9015 (15)0.05070*
H120.4755 (9)0.4963 (3)0.741 (4)0.05070*
H20.3834 (10)0.5208 (3)0.3948 (17)0.05070*
H310.1642 (12)0.4731 (4)0.370 (2)0.05070*
H320.1609 (11)0.5083 (3)0.374 (3)0.05070*
H2a10.3032 (18)0.4082 (3)0.4471 (18)0.05070*
H2a20.1569 (10)0.3874 (3)0.574 (4)0.05070*
H3a10.2213 (17)0.3542 (3)0.9208 (18)0.05070*
H3a20.3718 (11)0.3757 (3)0.817 (3)0.05070*
H4a10.2954 (17)0.3532 (3)0.4484 (19)0.05070*
H4a20.1428 (11)0.3320 (3)0.548 (3)0.05070*
H5a10.214 (2)0.2999 (3)0.9244 (16)0.05070*
H5a20.3512 (9)0.3172 (3)0.777 (4)0.05070*
H6a10.224 (2)0.2900 (3)0.4343 (14)0.05070*
H6a20.0959 (8)0.2680 (3)0.622 (4)0.05070*
H7a10.221 (2)0.2441 (3)0.9244 (14)0.05070*
H7a20.3330 (7)0.2644 (3)0.703 (4)0.05070*
H8a10.191 (2)0.2315 (3)0.4284 (15)0.05070*
H8a20.0696 (8)0.2114 (3)0.631 (4)0.05070*
H9a10.171 (2)0.1822 (3)0.9140 (15)0.05070*
H9a20.3046 (9)0.2059 (3)0.743 (4)0.05070*
H10a10.197 (2)0.1770 (3)0.4156 (16)0.05070*
H10a20.0587 (9)0.1542 (3)0.572 (4)0.05070*
H11a10.171 (2)0.1298 (3)0.9126 (14)0.05070*
H11a20.2890 (8)0.1475 (3)0.706 (4)0.05070*
H12a10.144 (2)0.1116 (3)0.4372 (14)0.05070*
H12a20.0221 (8)0.0956 (3)0.629 (4)0.05070*
H13a10.1030 (18)0.0656 (3)0.9384 (17)0.05070*
H13a20.2482 (10)0.0880 (3)0.805 (4)0.05070*
H14a10.147 (2)0.0617 (3)0.4503 (15)0.05070*
H14a20.0108 (9)0.0366 (3)0.611 (4)0.05070*
H15a10.107 (2)0.0085 (4)0.920 (2)0.05070*
H15a20.2523 (10)0.0368 (4)0.795 (5)0.05070*
H15a30.141 (2)0.0073 (4)0.647 (3)0.05070*
H2b10.5145 (11)0.5982 (3)0.776 (3)0.05070*
H2b20.3620 (17)0.5743 (3)0.878 (2)0.05070*
H3b10.2961 (10)0.6067 (3)0.527 (3)0.05070*
H3b20.4453 (18)0.6287 (3)0.4129 (18)0.05070*
H4b10.5278 (10)0.6554 (3)0.764 (4)0.05070*
H4b20.3804 (18)0.6319 (3)0.8901 (17)0.05070*
H5b10.3005 (8)0.6629 (3)0.594 (4)0.05070*
H5b20.429 (2)0.6838 (3)0.4105 (14)0.05070*
H6b10.5569 (10)0.7076 (3)0.771 (4)0.05070*
H6b20.4146 (18)0.6911 (3)0.9032 (17)0.05070*
H7b10.3798 (14)0.7277 (3)0.464 (2)0.05070*
H7b20.5406 (13)0.7502 (3)0.488 (3)0.05070*
H8b10.5220 (15)0.7586 (3)0.884 (2)0.05070*
H8b20.3621 (13)0.7412 (3)0.832 (3)0.05070*
H9b10.3916 (14)0.7863 (3)0.468 (2)0.05070*
H9b20.5508 (14)0.8013 (3)0.485 (3)0.05070*
H10b10.5794 (12)0.8227 (3)0.829 (3)0.05070*
H10b20.4206 (15)0.8024 (3)0.876 (2)0.05070*
H11b10.3919 (10)0.8407 (3)0.529 (3)0.05070*
H11b20.5391 (17)0.8559 (3)0.4236 (19)0.05070*
H12b10.6413 (8)0.8884 (3)0.702 (4)0.05070*
H12b20.520 (2)0.8643 (3)0.9047 (14)0.05070*
H13b10.3971 (8)0.8890 (3)0.633 (4)0.05070*
H13b20.515 (2)0.9115 (3)0.4224 (15)0.05070*
H14b10.6556 (8)0.9420 (3)0.743 (4)0.05070*
H14b20.527 (2)0.9225 (3)0.9229 (15)0.05070*
H15b10.4265 (10)0.9499 (4)0.588 (5)0.05070*
H15b20.564 (2)0.9717 (5)0.430 (2)0.05070*
H15b30.559 (2)0.9793 (3)0.702 (3)0.05070*
H2c10.1852 (8)0.4203 (4)0.883 (3)0.05070*
H2c20.0567 (18)0.4499 (3)1.011 (2)0.05070*
H3c10.1004 (18)0.3933 (3)1.2382 (17)0.05070*
H3c20.0441 (10)0.4161 (3)1.100 (3)0.05070*
H4c10.0481 (18)0.3882 (3)0.7638 (17)0.05070*
H4c20.1921 (10)0.3650 (3)0.905 (4)0.05070*
H5c10.092 (2)0.3387 (3)1.2548 (15)0.05070*
H5c20.0423 (9)0.3609 (3)1.088 (4)0.05070*
H6c10.0603 (18)0.3302 (3)0.7743 (17)0.05070*
H6c20.2041 (10)0.3100 (3)0.911 (4)0.05070*
H7c10.1268 (19)0.2792 (3)1.2581 (16)0.05070*
H7c20.0145 (10)0.2995 (3)1.116 (4)0.05070*
H8c10.0924 (19)0.2745 (3)0.7669 (16)0.05070*
H8c20.2330 (9)0.2531 (3)0.917 (4)0.05070*
H9c10.146 (2)0.2220 (3)1.2488 (15)0.05070*
H9c20.0122 (9)0.2419 (3)1.084 (4)0.05070*
H10c10.130 (2)0.2127 (3)0.7614 (16)0.05070*
H10c20.2670 (9)0.1936 (3)0.920 (4)0.05070*
H11c10.2045 (17)0.1605 (3)1.232 (2)0.05070*
H11c20.0500 (11)0.1846 (3)1.149 (3)0.05070*
H12c10.0974 (16)0.1614 (3)0.795 (2)0.05070*
H12c20.2554 (12)0.1408 (3)0.845 (3)0.05070*
H13c10.2141 (17)0.1057 (3)1.2431 (19)0.05070*
H13c20.0665 (11)0.1225 (3)1.139 (3)0.05070*
H14c10.1699 (19)0.0996 (3)0.7653 (17)0.05070*
H14c20.3114 (10)0.0799 (3)0.906 (4)0.05070*
H15c10.2616 (17)0.0417 (4)1.208 (3)0.05070*
H15c20.1042 (12)0.0653 (4)1.141 (4)0.05070*
H15c30.211 (2)0.0423 (4)0.945 (3)0.05070*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
???????
Geometric parameters (Å, º) top
O1a—C11.455 (11)C6b—H6b11.010 (14)
O1a—C1a1.352 (8)C6b—H6b20.991 (15)
O2a—C1a1.190 (9)C7b—C8b1.511 (13)
O1b—C21.432 (11)C7b—H7b10.999 (15)
O1b—C1b1.351 (9)C7b—H7b21.030 (15)
O2b—C1b1.225 (9)C8b—C9b1.511 (9)
O1c—C31.472 (9)C8b—H8b11.016 (15)
O1c—C1c1.378 (8)C8b—H8b20.994 (16)
O2c—C1c1.229 (10)C9b—C10b1.492 (12)
C1—C21.488 (11)C9b—H9b11.009 (16)
C1—H110.979 (13)C9b—H9b21.025 (18)
C1—H121.042 (11)C10b—C11b1.544 (10)
C2—C31.539 (8)C10b—H10b11.022 (15)
C2—H21.012 (11)C10b—H10b20.987 (17)
C3—H310.99 (2)C11b—C12b1.509 (11)
C3—H321.010 (17)C11b—H11b10.994 (15)
C1a—C2a1.482 (12)C11b—H11b20.996 (17)
C2a—C3a1.538 (11)C12b—C13b1.512 (12)
C2a—H2a10.982 (15)C12b—H12b11.015 (12)
C2a—H2a21.036 (14)C12b—H12b21.000 (11)
C3a—C4a1.539 (12)C13b—C14b1.493 (11)
C3a—H3a10.986 (15)C13b—H13b11.008 (12)
C3a—H3a21.013 (14)C13b—H13b21.027 (12)
C4a—C5a1.492 (11)C14b—C15b1.521 (12)
C4a—H4a11.001 (15)C14b—H14b11.017 (12)
C4a—H4a21.031 (14)C14b—H14b21.014 (13)
C5a—C6a1.517 (11)C15b—H15b11.022 (14)
C5a—H5a11.006 (14)C15b—H15b21.010 (17)
C5a—H5a21.025 (14)C15b—H15b30.99 (2)
C6a—C7a1.528 (12)C1c—C2c1.537 (10)
C6a—H6a11.008 (13)C2c—C3c1.564 (11)
C6a—H6a20.999 (12)C2c—H2c10.985 (10)
C7a—C8a1.512 (11)C2c—H2c20.981 (16)
C7a—H7a10.975 (11)C3c—C4c1.499 (11)
C7a—H7a21.021 (13)C3c—H3c10.994 (15)
C8a—C9a1.507 (12)C3c—H3c20.992 (13)
C8a—H8a11.013 (12)C4c—C5c1.553 (12)
C8a—H8a21.004 (12)C4c—H4c10.998 (14)
C9a—C10a1.507 (11)C4c—H4c21.001 (13)
C9a—H9a11.018 (12)C5c—C6c1.494 (11)
C9a—H9a21.022 (12)C5c—H5c10.980 (13)
C10a—C11a1.514 (12)C5c—H5c21.028 (12)
C10a—H10a11.005 (14)C6c—C7c1.519 (11)
C10a—H10a21.013 (12)C6c—H6c11.007 (15)
C11a—C12a1.520 (10)C6c—H6c21.020 (13)
C11a—H11a11.009 (12)C7c—C8c1.517 (11)
C11a—H11a21.008 (12)C7c—H7c10.987 (14)
C12a—C13a1.538 (11)C7c—H7c21.005 (13)
C12a—H12a10.993 (14)C8c—C9c1.512 (12)
C12a—H12a21.001 (13)C8c—H8c11.000 (14)
C13a—C14a1.513 (12)C8c—H8c21.018 (13)
C13a—H13a10.994 (15)C9c—C10c1.494 (11)
C13a—H13a21.005 (13)C9c—H9c11.012 (14)
C14a—C15a1.512 (13)C9c—H9c21.020 (13)
C14a—H14a11.008 (13)C10c—C11c1.531 (11)
C14a—H14a21.008 (12)C10c—H10c10.994 (15)
C15a—H15a11.004 (16)C10c—H10c21.008 (13)
C15a—H15a21.019 (13)C11c—C12c1.484 (12)
C15a—H15a31.00 (2)C11c—H11c11.007 (16)
C1b—C2b1.465 (13)C11c—H11c21.013 (14)
C2b—C3b1.543 (12)C12c—C13c1.541 (10)
C2b—H2b11.012 (14)C12c—H12c10.997 (17)
C2b—H2b20.986 (15)C12c—H12c21.028 (15)
C3b—C4b1.490 (12)C13c—C14c1.503 (11)
C3b—H3b11.017 (13)C13c—H13c10.999 (16)
C3b—H3b21.006 (15)C13c—H13c21.004 (15)
C4b—C5b1.523 (12)C14c—C15c1.510 (12)
C4b—H4b11.025 (13)C14c—H14c11.008 (14)
C4b—H4b21.026 (14)C14c—H14c21.024 (14)
C5b—C6b1.546 (11)C15c—H15c11.008 (18)
C5b—H5b11.017 (13)C15c—H15c21.028 (16)
C5b—H5b20.962 (12)C15c—H15c31.00 (2)
C6b—C7b1.506 (10)
C1—O1a—C1a115.5 (6)C6b—C7b—C8b116.5 (6)
C2—O1b—C1b116.4 (7)C6b—C7b—H7b1109.6 (10)
C3—O1c—C1c108.8 (5)C6b—C7b—H7b2107.2 (12)
O1a—C1—C2107.4 (6)C8b—C7b—H7b1109.1 (14)
O1a—C1—H11110.7 (11)C8b—C7b—H7b2106.0 (10)
O1a—C1—H12106.2 (14)H7b1—C7b—H7b2108.1 (12)
C2—C1—H11114.4 (16)C7b—C8b—C9b113.5 (6)
C2—C1—H12108.4 (9)C7b—C8b—H8b1107.1 (14)
H11—C1—H12109.4 (16)C7b—C8b—H8b2109.5 (11)
O1b—C2—C1107.2 (6)C9b—C8b—H8b1107.4 (9)
O1b—C2—C3107.2 (7)C9b—C8b—H8b2109.3 (12)
O1b—C2—H2109.0 (9)H8b1—C8b—H8b2109.9 (13)
C1—C2—C3114.3 (5)C8b—C9b—C10b115.7 (6)
C1—C2—H2110.9 (11)C8b—C9b—H9b1108.1 (9)
C3—C2—H2108.0 (8)C8b—C9b—H9b2106.9 (12)
O1c—C3—C2106.0 (5)C10b—C9b—H9b1109.9 (14)
O1c—C3—H31110.1 (8)C10b—C9b—H9b2108.2 (9)
O1c—C3—H32108.7 (12)H9b1—C9b—H9b2107.7 (13)
C2—C3—H31111.2 (11)C9b—C10b—C11b113.7 (6)
C2—C3—H32108.5 (8)C9b—C10b—H10b1108.4 (14)
H31—C3—H32112.1 (14)C9b—C10b—H10b2111.1 (9)
O1a—C1a—O2a121.4 (8)C11b—C10b—H10b1105.3 (9)
O1a—C1a—C2a112.1 (6)C11b—C10b—H10b2108.1 (13)
O2a—C1a—C2a126.3 (7)H10b1—C10b—H10b2109.9 (13)
C1a—C2a—C3a113.2 (7)C10b—C11b—C12b112.4 (6)
C1a—C2a—H2a1110.6 (10)C10b—C11b—H11b1107.8 (9)
C1a—C2a—H2a2106.3 (15)C10b—C11b—H11b2106.9 (14)
C3a—C2a—H2a1110.6 (15)C12b—C11b—H11b1108.9 (14)
C3a—C2a—H2a2106.2 (9)C12b—C11b—H11b2108.6 (8)
H2a1—C2a—H2a2109.7 (16)H11b1—C11b—H11b2112.3 (16)
C2a—C3a—C4a112.1 (6)C11b—C12b—C13b114.3 (7)
C2a—C3a—H3a1109.8 (15)C11b—C12b—H12b1107.6 (15)
C2a—C3a—H3a2107.6 (9)C11b—C12b—H12b2108.4 (9)
C4a—C3a—H3a1109.6 (9)C13b—C12b—H12b1108.0 (10)
C4a—C3a—H3a2107.4 (14)C13b—C12b—H12b2109.0 (16)
H3a1—C3a—H3a2110.3 (15)H12b1—C12b—H12b2109.3 (18)
C3a—C4a—C5a114.2 (6)C12b—C13b—C14b116.2 (7)
C3a—C4a—H4a1108.3 (9)C12b—C13b—H13b1108.3 (10)
C3a—C4a—H4a2106.1 (14)C12b—C13b—H13b2106.9 (16)
C5a—C4a—H4a1110.8 (15)C14b—C13b—H13b1109.3 (15)
C5a—C4a—H4a2108.2 (9)C14b—C13b—H13b2108.2 (9)
H4a1—C4a—H4a2109.0 (15)H13b1—C13b—H13b2107.7 (18)
C4a—C5a—C6a116.2 (6)C13b—C14b—C15b116.4 (7)
C4a—C5a—H5a1109.8 (15)C13b—C14b—H14b1108.8 (15)
C4a—C5a—H5a2107.8 (9)C13b—C14b—H14b2108.9 (9)
C6a—C5a—H5a1108.5 (9)C15b—C14b—H14b1107.3 (10)
C6a—C5a—H5a2106.8 (14)C15b—C14b—H14b2107.3 (16)
H5a1—C5a—H5a2107.3 (17)H14b1—C14b—H14b2107.8 (18)
C5a—C6a—C7a114.6 (6)C14b—C15b—H15b1107.3 (11)
C5a—C6a—H6a1107.7 (9)C14b—C15b—H15b2107.9 (19)
C5a—C6a—H6a2109.1 (15)C14b—C15b—H15b3115.8 (14)
C7a—C6a—H6a1106.9 (16)H15b1—C15b—H15b2108 (2)
C7a—C6a—H6a2108.3 (9)H15b1—C15b—H15b3108 (2)
H6a1—C6a—H6a2110.2 (18)H15b2—C15b—H15b3109.4 (15)
C6a—C7a—C8a113.3 (6)O1c—C1c—O2c115.1 (6)
C6a—C7a—H7a1110.2 (17)O1c—C1c—C2c104.8 (6)
C6a—C7a—H7a2105.6 (9)O2c—C1c—C2c124.4 (8)
C8a—C7a—H7a1110.3 (10)C1c—C2c—C3c107.5 (8)
C8a—C7a—H7a2106.9 (14)C1c—C2c—H2c1110.1 (10)
H7a1—C7a—H7a2110.5 (19)C1c—C2c—H2c2110.0 (9)
C7a—C8a—C9a115.2 (7)C3c—C2c—H2c1107.1 (11)
C7a—C8a—H8a1106.8 (9)C3c—C2c—H2c2107.2 (11)
C7a—C8a—H8a2108.0 (15)H2c1—C2c—H2c2115 (2)
C9a—C8a—H8a1107.8 (16)C2c—C3c—C4c110.4 (6)
C9a—C8a—H8a2109.6 (10)C2c—C3c—H3c1106.6 (15)
H8a1—C8a—H8a2109.4 (19)C2c—C3c—H3c2106.7 (9)
C8a—C9a—C10a118.1 (7)C4c—C3c—H3c1110.1 (9)
C8a—C9a—H9a1108.0 (16)C4c—C3c—H3c2110.1 (14)
C8a—C9a—H9a2107.6 (10)H3c1—C3c—H3c2112.8 (15)
C10a—C9a—H9a1108.1 (9)C3c—C4c—C5c112.9 (6)
C10a—C9a—H9a2107.5 (15)C3c—C4c—H4c1108.8 (9)
H9a1—C9a—H9a2107.2 (17)C3c—C4c—H4c2109.1 (15)
C9a—C10a—C11a115.4 (6)C5c—C4c—H4c1107.1 (15)
C9a—C10a—H10a1108.5 (9)C5c—C4c—H4c2107.2 (10)
C9a—C10a—H10a2108.6 (15)H4c1—C4c—H4c2111.9 (16)
C11a—C10a—H10a1108.0 (16)C4c—C5c—C6c113.2 (6)
C11a—C10a—H10a2107.1 (10)C4c—C5c—H5c1109.2 (16)
H10a1—C10a—H10a2109.1 (17)C4c—C5c—H5c2104.9 (9)
C10a—C11a—C12a115.0 (6)C6c—C5c—H5c1111.6 (10)
C10a—C11a—H11a1108.6 (16)C6c—C5c—H5c2108.2 (14)
C10a—C11a—H11a2108.2 (9)H5c1—C5c—H5c2109.5 (17)
C12a—C11a—H11a1107.7 (9)C5c—C6c—C7c115.5 (6)
C12a—C11a—H11a2108.0 (14)C5c—C6c—H6c1109.7 (9)
H11a1—C11a—H11a2109.4 (19)C5c—C6c—H6c2108.1 (14)
C11a—C12a—C13a112.2 (6)C7c—C6c—H6c1107.3 (15)
C11a—C12a—H12a1109.6 (9)C7c—C6c—H6c2106.8 (9)
C11a—C12a—H12a2109.1 (14)H6c1—C6c—H6c2109.3 (16)
C13a—C12a—H12a1107.6 (15)C6c—C7c—C8c111.8 (6)
C13a—C12a—H12a2107.1 (9)C6c—C7c—H7c1109.4 (15)
H12a1—C12a—H12a2111.1 (18)C6c—C7c—H7c2107.2 (9)
C12a—C13a—C14a111.7 (6)C8c—C7c—H7c1109.7 (9)
C12a—C13a—H13a1107.8 (15)C8c—C7c—H7c2107.9 (14)
C12a—C13a—H13a2107.2 (9)H7c1—C7c—H7c2110.9 (16)
C14a—C13a—H13a1109.9 (9)C7c—C8c—C9c115.0 (6)
C14a—C13a—H13a2109.1 (14)C7c—C8c—H8c1107.8 (9)
H13a1—C13a—H13a2111.2 (16)C7c—C8c—H8c2106.6 (14)
C13a—C14a—C15a114.3 (6)C9c—C8c—H8c1109.8 (15)
C13a—C14a—H14a1108.3 (10)C9c—C8c—H8c2107.8 (9)
C13a—C14a—H14a2108.4 (15)H8c1—C8c—H8c2109.8 (17)
C15a—C14a—H14a1108.1 (16)C8c—C9c—C10c116.7 (6)
C15a—C14a—H14a2108.5 (10)C8c—C9c—H9c1108.8 (16)
H14a1—C14a—H14a2109.1 (17)C8c—C9c—H9c2107.2 (9)
C14a—C15a—H15a1108.6 (18)C10c—C9c—H9c1108.4 (9)
C14a—C15a—H15a2106.9 (11)C10c—C9c—H9c2107.9 (15)
C14a—C15a—H15a3115.5 (13)H9c1—C9c—H9c2107.5 (18)
H15a1—C15a—H15a2108.5 (18)C9c—C10c—C11c113.2 (6)
H15a1—C15a—H15a3108.8 (15)C9c—C10c—H10c1109.9 (9)
H15a2—C15a—H15a3108 (2)C9c—C10c—H10c2108.6 (15)
O1b—C1b—O2b120.6 (8)C11c—C10c—H10c1107.4 (15)
O1b—C1b—C2b112.2 (6)C11c—C10c—H10c2106.6 (9)
O2b—C1b—C2b125.5 (9)H10c1—C10c—H10c2111.2 (17)
C1b—C2b—C3b110.8 (7)C10c—C11c—C12c116.5 (6)
C1b—C2b—H2b1108.5 (15)C10c—C11c—H11c1105.9 (14)
C1b—C2b—H2b2110.9 (10)C10c—C11c—H11c2105.8 (10)
C3b—C2b—H2b1106.1 (10)C12c—C11c—H11c1110.0 (9)
C3b—C2b—H2b2108.7 (15)C12c—C11c—H11c2109.5 (14)
H2b1—C2b—H2b2111.7 (15)H11c1—C11c—H11c2108.8 (14)
C2b—C3b—C4b114.9 (6)C11c—C12c—C13c117.0 (6)
C2b—C3b—H3b1106.0 (9)C11c—C12c—H12c1110.0 (9)
C2b—C3b—H3b2106.1 (15)C11c—C12c—H12c2108.0 (14)
C4b—C3b—H3b1109.8 (14)C13c—C12c—H12c1107.9 (13)
C4b—C3b—H3b2110.8 (9)C13c—C12c—H12c2105.4 (9)
H3b1—C3b—H3b2109.1 (15)H12c1—C12c—H12c2108.1 (14)
C3b—C4b—C5b116.8 (6)C12c—C13c—C14c114.0 (6)
C3b—C4b—H4b1109.3 (14)C12c—C13c—H13c1107.8 (14)
C3b—C4b—H4b2109.3 (9)C12c—C13c—H13c2107.4 (9)
C5b—C4b—H4b1107.1 (10)C14c—C13c—H13c1108.8 (8)
C5b—C4b—H4b2106.5 (15)C14c—C13c—H13c2108.9 (14)
H4b1—C4b—H4b2107.5 (15)H13c1—C13c—H13c2110.0 (15)
C4b—C5b—C6b110.2 (6)C13c—C14c—C15c117.2 (6)
C4b—C5b—H5b1106.5 (9)C13c—C14c—H14c1108.8 (9)
C4b—C5b—H5b2112.1 (17)C13c—C14c—H14c2107.3 (15)
C6b—C5b—H5b1105.7 (14)C15c—C14c—H14c1108.0 (15)
C6b—C5b—H5b2109.9 (9)C15c—C14c—H14c2107.1 (10)
H5b1—C5b—H5b2112.2 (18)H14c1—C14c—H14c2108.0 (17)
C5b—C6b—C7b112.0 (6)C14c—C15c—H15c1108.5 (16)
C5b—C6b—H6b1106.2 (14)C14c—C15c—H15c2107.4 (11)
C5b—C6b—H6b2107.6 (8)C14c—C15c—H15c3115.8 (12)
C7b—C6b—H6b1108.8 (9)H15c1—C15c—H15c2108.2 (17)
C7b—C6b—H6b2110.7 (14)H15c1—C15c—H15c3108.9 (14)
H6b1—C6b—H6b2111.4 (16)H15c2—C15c—H15c3108 (2)
(C17C17C17) β-1,2,3-tris(heptadecanoyl)glycerol top
Crystal data top
C54H104O6γ = 120.577 (2)°
Mr = 849.42V = 2725.82 (8) Å3
Triclinic, P_1Z = 2
Hall symbol: -p_1Dx = 1.034 Mg m3
a = 11.86642 (18) ÅSynchrotron radiation, λ = 0.850047 Å
b = 51.4495 (11) ÅT = 243 K
c = 5.43208 (7) Åwhite
α = 72.765 (2)°cylinder, × 1.5 mm mm
β = 100.095 (1)°
Data collection top
ESRF BM16
diffractometer
Data collection mode: transmission
Radiation source: synchrotronScan method: continuous
Si(111) monochromator2θmin = 1.500°, 2θmax = 50.000°, 2θstep = 0.005°
Refinement top
Refinement on Inet546 parameters
Rp = 6.8481 restraints
Rwp = 8.9H-atom parameters not refined
13811 data pointsBackground function: polynomal
Profile function: split-type pseudo-VoigtPreferred orientation correction: 'Ahtee and Jarvinnen'
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
O1a0.3397 (15)0.45890 (16)0.6104 (18)0.051 (4)*
O2a0.298 (2)0.4230 (3)0.9997 (16)0.05070*
O1b0.3477 (12)0.52509 (15)0.7199 (17)0.05070*
O2b0.378 (2)0.5614 (3)0.3273 (16)0.05070*
O1c0.1026 (7)0.4715 (3)0.6993 (18)0.05070*
O2c0.0770 (11)0.4603 (3)0.4775 (18)0.05070*
C10.3748 (9)0.48280 (16)0.7420 (18)0.0234 (7)*
C20.3305 (6)0.50453 (14)0.5606 (17)0.02340*
C30.1875 (6)0.4898 (2)0.4795 (17)0.02340*
C1a0.307 (2)0.42966 (17)0.7558 (18)0.02340*
C2a0.2634 (11)0.40596 (15)0.5990 (18)0.02340*
C3a0.2807 (10)0.37810 (17)0.7671 (19)0.02340*
C4a0.2330 (10)0.35421 (15)0.622 (2)0.02340*
C5a0.2579 (10)0.32765 (17)0.7453 (18)0.02340*
C6a0.2025 (10)0.30212 (16)0.5886 (18)0.02340*
C7a0.2508 (10)0.27943 (15)0.7014 (19)0.02340*
C8a0.1929 (10)0.25202 (15)0.5766 (18)0.02340*
C9a0.2087 (10)0.22323 (15)0.7475 (18)0.02340*
C10a0.1612 (10)0.19892 (15)0.607 (2)0.02340*
C11a0.2070 (10)0.17550 (16)0.729 (2)0.02340*
C12a0.1453 (10)0.14759 (15)0.608 (2)0.02340*
C13a0.1925 (10)0.12319 (15)0.752 (2)0.02340*
C14a0.1237 (10)0.09466 (15)0.6270 (19)0.02340*
C15a0.1469 (10)0.06786 (15)0.7664 (18)0.02340*
C16a0.1096 (10)0.04374 (17)0.6079 (17)0.02340*
C17a0.1518 (11)0.02023 (19)0.762 (2)0.02340*
C1b0.3657 (18)0.55346 (19)0.5684 (18)0.02340*
C2b0.4076 (11)0.57754 (15)0.7216 (18)0.02340*
C3b0.3802 (10)0.60416 (16)0.5709 (18)0.02340*
C4b0.4274 (10)0.62825 (15)0.7316 (18)0.02340*
C5b0.4009 (10)0.65508 (15)0.6006 (18)0.02340*
C6b0.4507 (10)0.67945 (15)0.7483 (18)0.02340*
C7b0.4219 (10)0.70629 (15)0.6028 (18)0.02340*
C8b0.4725 (10)0.73147 (15)0.7502 (18)0.02340*
C9b0.4412 (10)0.75689 (15)0.6035 (17)0.02340*
C10b0.4795 (10)0.78087 (15)0.7533 (17)0.02340*
C11b0.4714 (10)0.81062 (15)0.5961 (18)0.02340*
C12b0.5131 (10)0.83522 (15)0.7399 (18)0.02340*
C13b0.4836 (10)0.86147 (15)0.5991 (18)0.02340*
C14b0.5338 (10)0.88674 (15)0.7431 (19)0.02340*
C15b0.4958 (10)0.91258 (15)0.594 (2)0.02340*
C16b0.5502 (10)0.94021 (16)0.7237 (19)0.02340*
C17b0.5399 (11)0.96731 (17)0.551 (2)0.02340*
C1c0.0176 (8)0.4571 (3)0.6872 (17)0.02340*
C2c0.0902 (8)0.43801 (16)0.9403 (17)0.02340*
C3c0.0424 (10)0.41450 (16)1.0856 (17)0.02340*
C4c0.0864 (10)0.39073 (16)0.9247 (18)0.02340*
C5c0.0454 (10)0.36525 (15)1.0623 (18)0.02340*
C6c0.1053 (10)0.33827 (15)0.9274 (18)0.02340*
C7c0.0797 (10)0.31231 (15)1.0733 (18)0.02340*
C8c0.1352 (10)0.28508 (15)0.9489 (18)0.02340*
C9c0.0942 (10)0.25986 (15)1.0893 (19)0.02340*
C10c0.1573 (10)0.23326 (15)0.952 (2)0.02340*
C11c0.1197 (10)0.20802 (15)1.0845 (19)0.02340*
C12c0.1747 (10)0.18291 (16)0.9337 (18)0.02340*
C13c0.1374 (10)0.15666 (15)1.0677 (18)0.02340*
C14c0.1817 (10)0.13204 (15)0.9328 (18)0.02340*
C15c0.1551 (10)0.10504 (15)1.0782 (18)0.02340*
C16c0.2298 (9)0.07660 (16)0.946 (2)0.02340*
C17c0.1816 (10)0.05413 (18)1.051 (2)0.02340*
H110.4732 (10)0.4942 (3)0.774 (4)0.05070*
H120.330 (2)0.4736 (4)0.9114 (18)0.05070*
H20.3728 (9)0.5094 (3)0.3944 (18)0.05070*
H310.1670 (12)0.5071 (3)0.379 (3)0.05070*
H320.1718 (11)0.4763 (4)0.363 (3)0.05070*
H2a10.1676 (12)0.3982 (3)0.549 (4)0.05070*
H2a20.317 (2)0.4156 (3)0.443 (2)0.05070*
H3a10.3759 (12)0.3855 (3)0.814 (4)0.05070*
H3a20.2286 (19)0.3691 (3)0.927 (2)0.05070*
H4a10.1342 (10)0.3457 (3)0.592 (4)0.05070*
H4a20.274 (2)0.3648 (3)0.446 (2)0.05070*
H5a10.3551 (10)0.3358 (3)0.770 (4)0.05070*
H5a20.216 (2)0.3171 (3)0.9192 (18)0.05070*
H6a10.1042 (9)0.2907 (3)0.595 (4)0.05070*
H6a20.231 (2)0.3125 (3)0.4066 (16)0.05070*
H7a10.3487 (9)0.2909 (3)0.686 (4)0.05070*
H7a20.228 (2)0.2708 (3)0.8903 (16)0.05070*
H8a10.0960 (11)0.2446 (3)0.544 (4)0.05070*
H8a20.237 (2)0.2592 (3)0.4092 (19)0.05070*
H9a10.3045 (11)0.2307 (3)0.794 (4)0.05070*
H9a20.1575 (19)0.2145 (3)0.908 (2)0.05070*
H10a10.0626 (10)0.1876 (3)0.604 (4)0.05070*
H10a20.193 (2)0.2090 (3)0.4263 (17)0.05070*
H11a10.3050 (9)0.1865 (3)0.715 (4)0.05070*
H11a20.184 (2)0.1676 (3)0.9172 (17)0.05070*
H12a10.0467 (9)0.1368 (3)0.617 (4)0.05070*
H12a20.170 (2)0.1550 (3)0.4214 (17)0.05070*
H13a10.2893 (9)0.1332 (3)0.736 (4)0.05070*
H13a20.168 (2)0.1156 (3)0.9369 (17)0.05070*
H14a10.0269 (9)0.0870 (3)0.621 (4)0.05070*
H14a20.157 (2)0.1024 (3)0.4474 (18)0.05070*
H15a10.2431 (11)0.0765 (3)0.819 (4)0.05070*
H15a20.0935 (19)0.0568 (3)0.928 (2)0.05070*
H16a10.0113 (11)0.0325 (3)0.576 (4)0.05070*
H16a20.154 (2)0.0543 (3)0.4379 (18)0.05070*
H17a10.2482 (12)0.0313 (4)0.806 (5)0.05070*
H17a20.101 (2)0.0083 (4)0.925 (3)0.05070*
H17a30.133 (2)0.0055 (3)0.654 (3)0.05070*
H2b10.358 (2)0.5673 (3)0.885 (2)0.05070*
H2b20.5043 (11)0.5868 (3)0.760 (4)0.05070*
H3b10.428 (2)0.6142 (3)0.4051 (19)0.05070*
H3b20.2833 (11)0.5953 (3)0.534 (4)0.05070*
H4b10.382 (2)0.6175 (3)0.9017 (19)0.05070*
H4b20.5252 (11)0.6370 (3)0.765 (4)0.05070*
H5b10.445 (2)0.6655 (3)0.4291 (19)0.05070*
H5b20.3037 (10)0.6465 (3)0.573 (4)0.05070*
H6b10.408 (2)0.6695 (3)0.9192 (18)0.05070*
H6b20.5484 (10)0.6882 (3)0.774 (4)0.05070*
H7b10.465 (2)0.7161 (3)0.4306 (18)0.05070*
H7b20.3242 (10)0.6975 (3)0.574 (4)0.05070*
H8b10.429 (2)0.7218 (3)0.9218 (18)0.05070*
H8b20.5698 (10)0.7406 (3)0.777 (4)0.05070*
H9b10.490 (2)0.7675 (3)0.4381 (19)0.05070*
H9b20.3441 (11)0.7472 (3)0.565 (4)0.05070*
H10b10.4205 (18)0.7708 (3)0.904 (2)0.05070*
H10b20.5730 (12)0.7876 (3)0.818 (3)0.05070*
H11b10.5283 (18)0.8202 (3)0.443 (2)0.05070*
H11b20.3771 (12)0.8038 (3)0.536 (4)0.05070*
H12b10.467 (2)0.8250 (3)0.9084 (19)0.05070*
H12b20.6107 (11)0.8447 (3)0.773 (4)0.05070*
H13b10.526 (2)0.8712 (3)0.4270 (18)0.05070*
H13b20.3861 (10)0.8524 (3)0.573 (4)0.05070*
H14b10.495 (2)0.8772 (3)0.9183 (18)0.05070*
H14b20.6320 (10)0.8967 (3)0.761 (4)0.05070*
H15b10.531 (2)0.9210 (3)0.4149 (18)0.05070*
H15b20.3973 (10)0.9025 (3)0.582 (4)0.05070*
H16b10.5005 (19)0.9330 (3)0.885 (2)0.05070*
H16b20.6461 (11)0.9472 (3)0.773 (4)0.05070*
H17b10.597 (2)0.9760 (4)0.399 (3)0.05070*
H17b20.4454 (12)0.9601 (4)0.490 (5)0.05070*
H17b30.568 (3)0.9842 (3)0.644 (3)0.05070*
H2c10.072 (2)0.4525 (3)1.050 (3)0.05070*
H2c20.1866 (8)0.4265 (3)0.900 (3)0.05070*
H3c10.0562 (10)0.4257 (3)1.105 (4)0.05070*
H3c20.082 (2)0.4036 (3)1.2610 (17)0.05070*
H4c10.1843 (10)0.3803 (3)0.901 (4)0.05070*
H4c20.044 (2)0.4018 (3)0.7525 (18)0.05070*
H5c10.0528 (9)0.3753 (3)1.063 (4)0.05070*
H5c20.076 (2)0.3566 (3)1.2450 (16)0.05070*
H6c10.2033 (10)0.3299 (3)0.909 (4)0.05070*
H6c20.068 (2)0.3465 (3)0.7512 (17)0.05070*
H7c10.0183 (10)0.3210 (3)1.096 (4)0.05070*
H7c20.119 (2)0.3041 (3)1.2492 (18)0.05070*
H8c10.2336 (9)0.2745 (3)0.949 (4)0.05070*
H8c20.105 (2)0.2932 (3)0.7675 (17)0.05070*
H9c10.0034 (9)0.2698 (3)1.087 (4)0.05070*
H9c20.125 (2)0.2514 (3)1.2708 (17)0.05070*
H10c10.2558 (9)0.2239 (3)0.952 (4)0.05070*
H10c20.128 (2)0.2422 (3)0.7677 (17)0.05070*
H11c10.0215 (10)0.2175 (3)1.097 (4)0.05070*
H11c20.156 (2)0.1978 (3)1.2629 (18)0.05070*
H12c10.2727 (10)0.1733 (3)0.924 (4)0.05070*
H12c20.138 (2)0.1929 (3)0.7571 (17)0.05070*
H13c10.0384 (10)0.1671 (3)1.088 (4)0.05070*
H13c20.176 (2)0.1467 (3)1.2456 (17)0.05070*
H14c10.2798 (11)0.1226 (3)0.901 (4)0.05070*
H14c20.137 (2)0.1413 (3)0.7632 (18)0.05070*
H15c10.0585 (9)0.1130 (3)1.079 (4)0.05070*
H15c20.186 (2)0.0980 (3)1.2583 (17)0.05070*
H16c10.3268 (9)0.0659 (3)0.975 (4)0.05070*
H16c20.215 (2)0.0848 (3)0.7528 (17)0.05070*
H17c10.0876 (12)0.0638 (4)1.006 (5)0.05070*
H17c20.189 (3)0.0473 (5)1.245 (2)0.05070*
H17c30.237 (2)0.0353 (3)0.977 (4)0.05070*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
???????
Geometric parameters (Å, º) top
O1a—C11.446 (15)C7b—H7b11.009 (16)
O1a—C1a1.358 (12)C7b—H7b21.010 (15)
O2a—C1a1.275 (14)C8b—C9b1.502 (14)
O1b—C21.473 (14)C8b—H8b11.008 (16)
O1b—C1b1.373 (13)C8b—H8b21.002 (15)
O2b—C1b1.262 (13)C9b—C10b1.512 (14)
O1c—C31.456 (12)C9b—H9b11.005 (16)
O1c—C1c1.228 (10)C9b—H9b21.007 (15)
O2c—C1c1.244 (13)C10b—C11b1.558 (13)
C1—C21.503 (12)C10b—H10b11.004 (18)
C1—H111.015 (14)C10b—H10b21.009 (17)
C1—H121.004 (16)C11b—C12b1.507 (14)
C2—C31.509 (9)C11b—H11b11.005 (18)
C2—H21.013 (15)C11b—H11b21.011 (17)
C3—H311.01 (2)C12b—C13b1.519 (14)
C3—H321.01 (2)C12b—H12b11.004 (17)
C1a—C2a1.517 (15)C12b—H12b21.009 (15)
C2a—C3a1.546 (14)C13b—C14b1.519 (13)
C2a—H2a11.010 (17)C13b—H13b11.007 (16)
C2a—H2a20.995 (19)C13b—H13b21.004 (15)
C3a—C4a1.472 (14)C14b—C15b1.572 (14)
C3a—H3a11.001 (17)C14b—H14b11.004 (16)
C3a—H3a21.004 (18)C14b—H14b21.006 (15)
C4a—C5a1.484 (14)C15b—C16b1.560 (14)
C4a—H4a11.023 (16)C15b—H15b11.010 (16)
C4a—H4a21.015 (16)C15b—H15b21.008 (15)
C5a—C6a1.572 (14)C16b—C17b1.482 (14)
C5a—H5a11.006 (16)C16b—H16b11.01 (2)
C5a—H5a21.012 (16)C16b—H16b21.014 (17)
C6a—C7a1.484 (15)C17b—H17b11.00 (2)
C6a—H6a11.006 (14)C17b—H17b21.011 (19)
C6a—H6a20.998 (14)C17b—H17b31.01 (2)
C7a—C8a1.529 (13)C1c—C2c1.534 (12)
C7a—H7a11.006 (14)C2c—C3c1.544 (14)
C7a—H7a21.013 (14)C2c—H2c11.01 (2)
C8a—C9a1.581 (13)C2c—H2c21.003 (12)
C8a—H8a11.011 (16)C3c—C4c1.535 (14)
C8a—H8a21.002 (18)C3c—H3c11.009 (14)
C9a—C10a1.470 (14)C3c—H3c21.007 (14)
C9a—H9a11.008 (16)C4c—C5c1.567 (15)
C9a—H9a21.003 (18)C4c—H4c11.004 (15)
C10a—C11a1.501 (15)C4c—H4c21.004 (15)
C10a—H10a11.007 (14)C5c—C6c1.544 (13)
C10a—H10a21.004 (15)C5c—H5c11.005 (14)
C11a—C12a1.535 (13)C5c—H5c21.008 (15)
C11a—H11a11.008 (14)C6c—C7c1.485 (14)
C11a—H11a21.010 (15)C6c—H6c11.012 (16)
C12a—C13a1.576 (14)C6c—H6c21.006 (16)
C12a—H12a11.012 (14)C7c—C8c1.523 (13)
C12a—H12a21.009 (15)C7c—H7c11.010 (15)
C13a—C14a1.568 (13)C7c—H7c21.013 (17)
C13a—H13a11.000 (14)C8c—C9c1.559 (14)
C13a—H13a21.000 (15)C8c—H8c11.006 (14)
C14a—C15a1.498 (13)C8c—H8c21.002 (15)
C14a—H14a11.005 (15)C9c—C10c1.535 (13)
C14a—H14a21.004 (16)C9c—H9c11.000 (15)
C15a—C16a1.555 (14)C9c—H9c21.002 (15)
C15a—H15a11.014 (16)C10c—C11c1.525 (14)
C15a—H15a21.015 (17)C10c—H10c11.012 (15)
C16a—C17a1.511 (16)C10c—H10c21.010 (15)
C16a—H16a11.014 (15)C11c—C12c1.532 (14)
C16a—H16a21.006 (16)C11c—H11c11.007 (15)
C17a—H17a11.006 (16)C11c—H11c21.008 (15)
C17a—H17a21.007 (19)C12c—C13c1.569 (14)
C17a—H17a31.01 (2)C12c—H12c11.003 (15)
C1b—C2b1.521 (15)C12c—H12c20.999 (15)
C2b—C3b1.532 (14)C13c—C14c1.468 (13)
C2b—H2b11.000 (17)C13c—H13c11.014 (14)
C2b—H2b21.003 (16)C13c—H13c21.013 (15)
C3b—C4b1.541 (14)C14c—C15c1.537 (14)
C3b—H3b11.004 (17)C14c—H14c11.011 (15)
C3b—H3b21.005 (16)C14c—H14c21.004 (17)
C4b—C5b1.514 (14)C15c—C16c1.590 (13)
C4b—H4b11.009 (16)C15c—H15c11.001 (15)
C4b—H4b21.013 (16)C15c—H15c21.002 (16)
C5b—C6b1.497 (13)C16c—C17c1.469 (16)
C5b—H5b11.008 (16)C16c—H16c11.011 (14)
C5b—H5b21.004 (15)C16c—H16c21.016 (14)
C6b—C7b1.545 (14)C17c—H17c11.01 (2)
C6b—H6b11.001 (16)C17c—H17c21.010 (17)
C6b—H6b21.007 (15)C17c—H17c31.01 (2)
C7b—C8b1.528 (13)
C1—O1a—C1a118.1 (9)C7b—C8b—C9b110.9 (8)
C2—O1b—C1b110.9 (8)C7b—C8b—H8b1109.0 (10)
C3—O1c—C1c125.4 (8)C7b—C8b—H8b2109.4 (16)
O1a—C1—C2104.9 (8)C9b—C8b—H8b1108.6 (17)
O1a—C1—H11110.1 (17)C9b—C8b—H8b2109.1 (11)
O1a—C1—H12110.9 (12)H8b1—C8b—H8b2109.9 (18)
C2—C1—H11110.5 (10)C8b—C9b—C10b112.5 (8)
C2—C1—H12111.3 (17)C8b—C9b—H9b1108.5 (17)
H11—C1—H12109.1 (17)C8b—C9b—H9b2108.3 (11)
O1b—C2—C1102.6 (8)C10b—C9b—H9b1108.9 (10)
O1b—C2—C3105.5 (9)C10b—C9b—H9b2108.8 (16)
O1b—C2—H2130.6 (9)H9b1—C9b—H9b2109.8 (17)
C1—C2—C3115.7 (6)C9b—C10b—C11b115.0 (7)
C1—C2—H2102.2 (12)C9b—C10b—H10b1108.4 (10)
C3—C2—H2101.1 (9)C9b—C10b—H10b2107.9 (16)
O1c—C3—C2112.2 (7)C11b—C10b—H10b1108.3 (16)
O1c—C3—H31109.0 (14)C11b—C10b—H10b2107.7 (10)
O1c—C3—H32110.1 (11)H10b1—C10b—H10b2109.6 (16)
C2—C3—H31108.3 (9)C10b—C11b—C12b115.8 (8)
C2—C3—H32108.5 (12)C10b—C11b—H11b1108.0 (16)
H31—C3—H32108.8 (16)C10b—C11b—H11b2107.5 (10)
O1a—C1a—O2a120.9 (13)C12b—C11b—H11b1108.1 (10)
O1a—C1a—C2a113.9 (8)C12b—C11b—H11b2107.7 (16)
O2a—C1a—C2a124.6 (9)H11b1—C11b—H11b2109.7 (17)
C1a—C2a—C3a109.0 (9)C11b—C12b—C13b114.9 (8)
C1a—C2a—H2a1109 (2)C11b—C12b—H12b1108.5 (10)
C1a—C2a—H2a2110.1 (11)C11b—C12b—H12b2108.0 (16)
C3a—C2a—H2a1108.5 (11)C13b—C12b—H12b1108.0 (17)
C3a—C2a—H2a2109.7 (17)C13b—C12b—H12b2107.7 (10)
H2a1—C2a—H2a2110.6 (18)H12b1—C12b—H12b2109.7 (18)
C2a—C3a—C4a109.6 (8)C12b—C13b—C14b113.4 (8)
C2a—C3a—H3a1109.1 (11)C12b—C13b—H13b1108.2 (17)
C2a—C3a—H3a2108.9 (17)C12b—C13b—H13b2108.3 (10)
C4a—C3a—H3a1109.5 (17)C14b—C13b—H13b1108.3 (10)
C4a—C3a—H3a2109.4 (10)C14b—C13b—H13b2108.6 (16)
H3a1—C3a—H3a2110.3 (18)H13b1—C13b—H13b2110.0 (18)
C3a—C4a—C5a115.9 (8)C13b—C14b—C15b111.2 (8)
C3a—C4a—H4a1107.5 (17)C13b—C14b—H14b1109.1 (10)
C3a—C4a—H4a2108.1 (10)C13b—C14b—H14b2108.9 (16)
C5a—C4a—H4a1108.5 (10)C15b—C14b—H14b1108.9 (17)
C5a—C4a—H4a2109.1 (17)C15b—C14b—H14b2108.8 (10)
H4a1—C4a—H4a2107.4 (19)H14b1—C14b—H14b2109.9 (19)
C4a—C5a—C6a114.7 (8)C14b—C15b—C16b114.1 (8)
C4a—C5a—H5a1109.0 (11)C14b—C15b—H15b1107.7 (17)
C4a—C5a—H5a2108.8 (17)C14b—C15b—H15b2108.0 (10)
C6a—C5a—H5a1107.7 (17)C16b—C15b—H15b1108.8 (10)
C6a—C5a—H5a2107.3 (10)C16b—C15b—H15b2108.9 (16)
H5a1—C5a—H5a2109.3 (19)H15b1—C15b—H15b2109 (2)
C5a—C6a—C7a111.1 (8)C15b—C16b—C17b112.7 (8)
C5a—C6a—H6a1108.2 (17)C15b—C16b—H16b1109.3 (10)
C5a—C6a—H6a2108.9 (10)C15b—C16b—H16b2108.9 (16)
C7a—C6a—H6a1108.9 (11)C17b—C16b—H16b1108.8 (17)
C7a—C6a—H6a2109.3 (19)C17b—C16b—H16b2108.2 (10)
H6a1—C6a—H6a2110 (2)H16b1—C16b—H16b2108.9 (18)
C6a—C7a—C8a115.0 (8)C16b—C17b—H17b1109.3 (19)
C6a—C7a—H7a1108.1 (10)C16b—C17b—H17b2108.6 (12)
C6a—C7a—H7a2107.7 (18)C16b—C17b—H17b3111.7 (15)
C8a—C7a—H7a1108.7 (17)H17b1—C17b—H17b2110 (2)
C8a—C7a—H7a2108.0 (10)H17b1—C17b—H17b3109.2 (17)
H7a1—C7a—H7a2109 (2)H17b2—C17b—H17b3108 (3)
C7a—C8a—C9a114.2 (8)O1c—C1c—O2c120.1 (9)
C7a—C8a—H8a1108.4 (16)O1c—C1c—C2c117.8 (8)
C7a—C8a—H8a2108.9 (10)O2c—C1c—C2c121.8 (8)
C9a—C8a—H8a1107.4 (10)C1c—C2c—C3c109.7 (10)
C9a—C8a—H8a2108.1 (16)C1c—C2c—H2c1108.9 (11)
H8a1—C8a—H8a2109.7 (18)C1c—C2c—H2c2109.0 (12)
C8a—C9a—C10a111.2 (8)C3c—C2c—H2c1109.4 (13)
C8a—C9a—H9a1108.3 (10)C3c—C2c—H2c2109.5 (11)
C8a—C9a—H9a2108.6 (16)H2c1—C2c—H2c2110 (2)
C10a—C9a—H9a1109.1 (16)C2c—C3c—C4c107.5 (7)
C10a—C9a—H9a2109.6 (10)C2c—C3c—H3c1109.7 (11)
H9a1—C9a—H9a2110.0 (17)C2c—C3c—H3c2110.1 (18)
C9a—C10a—C11a112.9 (8)C4c—C3c—H3c1109.8 (16)
C9a—C10a—H10a1108.6 (17)C4c—C3c—H3c2110.1 (11)
C9a—C10a—H10a2108.8 (10)H3c1—C3c—H3c2109.6 (17)
C11a—C10a—H10a1108.1 (11)C3c—C4c—C5c111.0 (8)
C11a—C10a—H10a2108.5 (18)C3c—C4c—H4c1109.1 (17)
H10a1—C10a—H10a2110 (2)C3c—C4c—H4c2109.1 (10)
C10a—C11a—C12a114.2 (8)C5c—C4c—H4c1108.7 (11)
C10a—C11a—H11a1107.9 (10)C5c—C4c—H4c2108.9 (17)
C10a—C11a—H11a2107.6 (18)H4c1—C4c—H4c2110.1 (18)
C12a—C11a—H11a1109.0 (17)C4c—C5c—C6c112.6 (8)
C12a—C11a—H11a2108.6 (10)C4c—C5c—H5c1108.5 (10)
H11a1—C11a—H11a2109 (2)C4c—C5c—H5c2108.3 (18)
C11a—C12a—C13a111.7 (8)C6c—C5c—H5c1109.0 (16)
C11a—C12a—H12a1109.5 (16)C6c—C5c—H5c2108.9 (10)
C11a—C12a—H12a2109.7 (10)H5c1—C5c—H5c2110 (2)
C13a—C12a—H12a1108.3 (10)C5c—C6c—C7c112.9 (8)
C13a—C12a—H12a2108.4 (18)C5c—C6c—H6c1108.4 (16)
H12a1—C12a—H12a2109 (2)C5c—C6c—H6c2108.9 (10)
C12a—C13a—C14a109.9 (8)C7c—C6c—H6c1108.5 (10)
C12a—C13a—H13a1109.3 (10)C7c—C6c—H6c2108.9 (17)
C12a—C13a—H13a2109.2 (18)H6c1—C6c—H6c2109 (2)
C14a—C13a—H13a1108.8 (16)C6c—C7c—C8c115.4 (8)
C14a—C13a—H13a2108.6 (10)C6c—C7c—H7c1108.1 (10)
H13a1—C13a—H13a2111 (2)C6c—C7c—H7c2108.0 (17)
C13a—C14a—C15a115.4 (8)C8c—C7c—H7c1108.4 (16)
C13a—C14a—H14a1107.3 (16)C8c—C7c—H7c2108.0 (10)
C13a—C14a—H14a2107.3 (10)H7c1—C7c—H7c2108.8 (19)
C15a—C14a—H14a1108.2 (10)C7c—C8c—C9c114.5 (8)
C15a—C14a—H14a2108.5 (17)C7c—C8c—H8c1108.6 (16)
H14a1—C14a—H14a2110 (2)C7c—C8c—H8c2108.9 (10)
C14a—C15a—C16a114.7 (8)C9c—C8c—H8c1107.3 (10)
C14a—C15a—H15a1108.2 (10)C9c—C8c—H8c2107.6 (18)
C14a—C15a—H15a2107.9 (16)H8c1—C8c—H8c2110 (2)
C16a—C15a—H15a1108.7 (16)C8c—C9c—C10c110.3 (8)
C16a—C15a—H15a2108.5 (10)C8c—C9c—H9c1108.5 (10)
H15a1—C15a—H15a2108.6 (17)C8c—C9c—H9c2108.4 (18)
C15a—C16a—C17a108.5 (8)C10c—C9c—H9c1109.6 (17)
C15a—C16a—H16a1109.9 (17)C10c—C9c—H9c2109.3 (10)
C15a—C16a—H16a2110.6 (11)H9c1—C9c—H9c2111 (2)
C17a—C16a—H16a1109.0 (11)C9c—C10c—C11c111.8 (8)
C17a—C16a—H16a2109.5 (18)C9c—C10c—H10c1108.6 (17)
H16a1—C16a—H16a2109.3 (17)C9c—C10c—H10c2108.6 (10)
C16a—C17a—H17a1109.6 (13)C11c—C10c—H10c1109.3 (10)
C16a—C17a—H17a2109 (2)C11c—C10c—H10c2109.6 (18)
C16a—C17a—H17a3108.3 (15)H10c1—C10c—H10c2109 (2)
H17a1—C17a—H17a2110 (2)C10c—C11c—C12c111.2 (8)
H17a1—C17a—H17a3110 (3)C10c—C11c—H11c1109.8 (11)
H17a2—C17a—H17a3109.9 (16)C10c—C11c—H11c2109.5 (18)
O1b—C1b—O2b123.4 (14)C12c—C11c—H11c1108.5 (17)
O1b—C1b—C2b113.2 (8)C12c—C11c—H11c2108.3 (10)
O2b—C1b—C2b121.3 (9)H11c1—C11c—H11c2110 (2)
C1b—C2b—C3b111.9 (9)C11c—C12c—C13c111.9 (8)
C1b—C2b—H2b1109.3 (11)C11c—C12c—H12c1108.2 (17)
C1b—C2b—H2b2109.0 (19)C11c—C12c—H12c2108.6 (10)
C3b—C2b—H2b1108.2 (17)C13c—C12c—H12c1108.7 (10)
C3b—C2b—H2b2107.8 (11)C13c—C12c—H12c2108.9 (18)
H2b1—C2b—H2b2110.7 (18)H12c1—C12c—H12c2110.6 (19)
C2b—C3b—C4b109.8 (8)C12c—C13c—C14c116.1 (8)
C2b—C3b—H3b1108.5 (17)C12c—C13c—H13c1107.3 (10)
C2b—C3b—H3b2108.6 (11)C12c—C13c—H13c2107.6 (17)
C4b—C3b—H3b1109.9 (10)C14c—C13c—H13c1108.6 (16)
C4b—C3b—H3b2109.9 (17)C14c—C13c—H13c2108.6 (10)
H3b1—C3b—H3b2110.1 (17)H13c1—C13c—H13c2108.6 (18)
C3b—C4b—C5b113.6 (8)C13c—C14c—C15c115.3 (8)
C3b—C4b—H4b1108.9 (10)C13c—C14c—H14c1108.8 (16)
C3b—C4b—H4b2108.6 (16)C13c—C14c—H14c2109.4 (10)
C5b—C4b—H4b1108.5 (17)C15c—C14c—H14c1106.6 (10)
C5b—C4b—H4b2108.3 (11)C15c—C14c—H14c2107.1 (17)
H4b1—C4b—H4b2108.9 (18)H14c1—C14c—H14c2109.4 (18)
C4b—C5b—C6b114.5 (8)C14c—C15c—C16c111.8 (8)
C4b—C5b—H5b1108.3 (17)C14c—C15c—H15c1107.9 (10)
C4b—C5b—H5b2108.4 (11)C14c—C15c—H15c2107.8 (17)
C6b—C5b—H5b1107.6 (10)C16c—C15c—H15c1109.3 (16)
C6b—C5b—H5b2108.1 (17)C16c—C15c—H15c2109.3 (9)
H5b1—C5b—H5b2109.8 (19)H15c1—C15c—H15c2111 (2)
C5b—C6b—C7b111.9 (8)C15c—C16c—C17c110.9 (8)
C5b—C6b—H6b1108.8 (10)C15c—C16c—H16c1109.4 (17)
C5b—C6b—H6b2108.1 (16)C15c—C16c—H16c2109.0 (10)
C7b—C6b—H6b1109.3 (17)C17c—C16c—H16c1109.6 (11)
C7b—C6b—H6b2108.7 (10)C17c—C16c—H16c2109.3 (19)
H6b1—C6b—H6b2110.1 (18)H16c1—C16c—H16c2109 (2)
C6b—C7b—C8b112.7 (8)C16c—C17c—H17c1110.2 (13)
C6b—C7b—H7b1108.7 (17)C16c—C17c—H17c2110 (2)
C6b—C7b—H7b2108.7 (10)C16c—C17c—H17c3109.3 (16)
C8b—C7b—H7b1108.7 (10)H17c1—C17c—H17c2110 (2)
C8b—C7b—H7b2108.8 (16)H17c1—C17c—H17c3109 (2)
H7b1—C7b—H7b2109.3 (18)H17c2—C17c—H17c3108.9 (17)
(C19C19C19) β-1,2,3-tris(nonadecanoyl)glycerol top
Crystal data top
C60H116O6γ = 120.084 (1)°
Mr = 933.58V = 3011.82 (7) Å3
Triclinic, P_1Z = 2
Hall symbol: -p_1Dx = 1.029 Mg m3
a = 11.86797 (12) ÅSynchrotron radiation, λ = 0.850047 Å
b = 56.5143 (9) ÅT = 243 K
c = 5.42795 (5) Åwhite
α = 73.064 (1)°cylinder, × 1.5 mm mm
β = 100.020 (1)°
Data collection top
ESRF BM16
diffractometer
Data collection mode: transmission
Radiation source: synchrotronScan method: continuous
Si(111) monochromator2θmin = 1.505°, 2θmax = 50.000°, 2θstep = 0.005°
Refinement top
Refinement on Inet600 parameters
Rp = 6.1534 restraints
Rwp = 8.0H-atom parameters not refined
13808 data points
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
O1a0.3375 (14)0.46387 (17)0.599 (2)0.017 (2)*
O2a0.3267 (17)0.4352 (3)0.9954 (18)0.01680*
O1b0.3394 (12)0.52442 (16)0.703 (2)0.01680*
O2b0.3891 (16)0.5596 (3)0.3231 (19)0.01680*
O1c0.1056 (8)0.4749 (3)0.690 (2)0.01680*
O2c0.0649 (12)0.4651 (3)0.447 (2)0.01680*
C10.3710 (11)0.4860 (2)0.729 (2)0.0263 (6)*
C20.3280 (8)0.50599 (17)0.545 (2)0.02630*
C30.1847 (8)0.4921 (3)0.465 (2)0.02630*
C1a0.319 (2)0.4383 (2)0.752 (2)0.02630*
C2a0.2493 (12)0.41468 (18)0.615 (2)0.02630*
C3a0.2729 (13)0.3894 (2)0.764 (2)0.02630*
C4a0.2297 (12)0.36915 (19)0.610 (2)0.02630*
C5a0.2775 (12)0.3480 (2)0.721 (2)0.02630*
C6a0.2045 (12)0.32126 (18)0.612 (2)0.02630*
C7a0.2582 (12)0.30130 (19)0.717 (2)0.02630*
C8a0.2019 (12)0.27695 (18)0.582 (2)0.02630*
C9a0.2308 (12)0.25195 (18)0.733 (2)0.02630*
C10a0.1645 (12)0.22779 (18)0.613 (2)0.02630*
C11a0.2141 (12)0.20696 (19)0.717 (2)0.02630*
C12a0.1578 (12)0.18268 (19)0.584 (2)0.02630*
C13a0.2048 (12)0.16015 (18)0.736 (2)0.02630*
C14a0.1516 (12)0.13568 (18)0.605 (2)0.02630*
C15a0.1884 (12)0.11257 (18)0.736 (2)0.02630*
C16a0.1185 (12)0.08678 (18)0.610 (2)0.02630*
C17a0.1608 (12)0.06498 (18)0.757 (2)0.02630*
C18a0.1024 (12)0.03972 (19)0.634 (2)0.02630*
C19a0.1577 (13)0.0192 (2)0.752 (3)0.02630*
C1b0.391 (2)0.5520 (2)0.567 (2)0.02630*
C2b0.4103 (13)0.57187 (18)0.727 (2)0.02630*
C3b0.3889 (13)0.5967 (2)0.560 (2)0.02630*
C4b0.4278 (12)0.61817 (18)0.716 (2)0.02630*
C5b0.3891 (12)0.64116 (18)0.599 (2)0.02630*
C6b0.4441 (12)0.66386 (18)0.739 (2)0.02630*
C7b0.4154 (12)0.68835 (18)0.601 (2)0.02630*
C8b0.4647 (12)0.71067 (18)0.752 (2)0.02630*
C9b0.4291 (12)0.73356 (18)0.608 (2)0.02630*
C10b0.4770 (13)0.75641 (18)0.747 (2)0.02630*
C11b0.4545 (13)0.78212 (18)0.600 (2)0.02630*
C12b0.5042 (12)0.80515 (18)0.741 (2)0.02630*
C13b0.4759 (12)0.82941 (18)0.606 (2)0.02630*
C14b0.5019 (13)0.84964 (18)0.762 (2)0.02630*
C15b0.4815 (12)0.87544 (18)0.595 (2)0.02630*
C16b0.5435 (13)0.90061 (18)0.727 (2)0.02630*
C17b0.5112 (13)0.92358 (19)0.583 (2)0.02630*
C18b0.5664 (12)0.94600 (19)0.746 (2)0.02630*
C19b0.5358 (13)0.9703 (2)0.609 (3)0.02630*
C1c0.0158 (10)0.4608 (4)0.666 (2)0.02630*
C2c0.0876 (10)0.44369 (19)0.915 (2)0.02630*
C3c0.0322 (12)0.42351 (19)1.070 (2)0.02630*
C4c0.0867 (12)0.39986 (19)0.924 (2)0.02630*
C5c0.0429 (12)0.37744 (19)1.059 (2)0.02630*
C6c0.1001 (12)0.35264 (18)0.925 (2)0.02630*
C7c0.0659 (13)0.33005 (18)1.080 (2)0.02630*
C8c0.1156 (12)0.30591 (18)0.951 (2)0.02630*
C9c0.0871 (13)0.28129 (18)1.099 (2)0.02630*
C10c0.1454 (12)0.25853 (19)0.943 (2)0.02630*
C11c0.0973 (12)0.23701 (18)1.059 (2)0.02630*
C12c0.1511 (12)0.21393 (18)0.917 (2)0.02630*
C13c0.1328 (12)0.18754 (18)1.076 (2)0.02630*
C14c0.1688 (12)0.16633 (18)0.935 (2)0.02630*
C15c0.1493 (12)0.14082 (18)1.085 (2)0.02630*
C16c0.1872 (13)0.11904 (18)0.924 (2)0.02630*
C17c0.1690 (14)0.0945 (2)1.086 (2)0.02630*
C18c0.2289 (12)0.07153 (19)0.929 (2)0.02630*
C19c0.1965 (13)0.0474 (2)1.054 (3)0.02630*
H110.4696 (14)0.4961 (4)0.758 (5)0.05070*
H120.327 (3)0.4777 (4)0.896 (2)0.05070*
H20.3698 (12)0.5104 (4)0.381 (2)0.05070*
H310.1610 (16)0.5072 (4)0.371 (4)0.05070*
H320.1711 (15)0.4801 (5)0.347 (3)0.05070*
H2a10.1518 (13)0.4078 (4)0.610 (6)0.05070*
H2a20.280 (3)0.4213 (4)0.436 (2)0.05070*
H3a10.3688 (15)0.3969 (4)0.810 (5)0.05070*
H3a20.223 (3)0.3803 (4)0.929 (3)0.05070*
H4a10.1307 (13)0.3585 (4)0.599 (6)0.05070*
H4a20.263 (3)0.3790 (4)0.430 (2)0.05070*
H5a10.3726 (11)0.3578 (4)0.679 (6)0.05070*
H5a20.269 (3)0.3424 (4)0.912 (2)0.05070*
H6a10.1099 (11)0.3112 (4)0.652 (6)0.05070*
H6a20.214 (3)0.3273 (4)0.418 (2)0.05070*
H7a10.3547 (11)0.3123 (4)0.692 (6)0.05070*
H7a20.239 (3)0.2932 (4)0.904 (2)0.05070*
H8a10.1049 (13)0.2692 (4)0.564 (6)0.05070*
H8a20.241 (3)0.2848 (4)0.409 (2)0.05070*
H9a10.3282 (12)0.2593 (4)0.733 (6)0.05070*
H9a20.202 (3)0.2456 (4)0.914 (2)0.05070*
H10a10.0691 (11)0.2179 (4)0.645 (6)0.05070*
H10a20.180 (3)0.2351 (4)0.422 (2)0.05070*
H11a10.3123 (11)0.2177 (4)0.702 (6)0.05070*
H11a20.194 (3)0.1989 (4)0.907 (2)0.05070*
H12a10.0601 (12)0.1728 (4)0.584 (6)0.05070*
H12a20.189 (3)0.1898 (4)0.404 (2)0.05070*
H13a10.3028 (13)0.1703 (4)0.741 (6)0.05070*
H13a20.173 (3)0.1529 (4)0.917 (2)0.05070*
H14a10.0533 (12)0.1261 (4)0.599 (6)0.05070*
H14a20.184 (3)0.1432 (4)0.425 (2)0.05070*
H15a10.2844 (11)0.1209 (4)0.727 (5)0.05070*
H15a20.161 (3)0.1059 (4)0.920 (2)0.05070*
H16a10.0213 (12)0.0779 (4)0.620 (6)0.05070*
H16a20.144 (3)0.0929 (4)0.426 (2)0.05070*
H17a10.2583 (12)0.0743 (4)0.755 (6)0.05070*
H17a20.130 (3)0.0582 (4)0.937 (2)0.05070*
H18a10.0052 (11)0.0291 (4)0.655 (6)0.05070*
H18a20.122 (3)0.0472 (4)0.444 (2)0.05070*
H19a10.2557 (14)0.0305 (5)0.769 (7)0.05070*
H19a20.122 (3)0.0084 (5)0.929 (3)0.05070*
H19a30.136 (3)0.0053 (4)0.647 (5)0.05070*
H2b10.348 (2)0.5618 (4)0.868 (3)0.05070*
H2b20.5025 (17)0.5803 (4)0.796 (5)0.05070*
H3b10.444 (2)0.6050 (4)0.405 (3)0.05070*
H3b20.2944 (16)0.5888 (4)0.504 (5)0.05070*
H4b10.388 (3)0.6080 (4)0.893 (2)0.05070*
H4b20.5267 (14)0.6279 (4)0.746 (5)0.05070*
H5b10.418 (3)0.6498 (4)0.417 (2)0.05070*
H5b20.2909 (12)0.6320 (4)0.598 (6)0.05070*
H6b10.407 (3)0.6557 (4)0.916 (2)0.05070*
H6b20.5424 (13)0.6718 (4)0.757 (6)0.05070*
H7b10.458 (3)0.6975 (4)0.428 (2)0.05070*
H7b20.3180 (14)0.6804 (4)0.570 (5)0.05070*
H8b10.422 (3)0.7019 (4)0.923 (2)0.05070*
H8b20.5615 (14)0.7195 (4)0.774 (5)0.05070*
H9b10.468 (3)0.7416 (4)0.434 (2)0.05070*
H9b20.3314 (13)0.7243 (4)0.588 (5)0.05070*
H10b10.432 (3)0.7482 (4)0.916 (2)0.05070*
H10b20.5742 (14)0.7641 (4)0.781 (5)0.05070*
H11b10.501 (3)0.7905 (4)0.434 (3)0.05070*
H11b20.3586 (14)0.7748 (4)0.566 (5)0.05070*
H12b10.464 (3)0.7965 (4)0.913 (2)0.05070*
H12b20.6020 (13)0.8134 (4)0.762 (6)0.05070*
H13b10.532 (3)0.8403 (4)0.448 (3)0.05070*
H13b20.3813 (16)0.8210 (4)0.546 (5)0.05070*
H14b10.442 (2)0.8401 (4)0.910 (3)0.05070*
H14b20.5958 (16)0.8577 (4)0.829 (4)0.05070*
H15b10.525 (3)0.8820 (4)0.427 (2)0.05070*
H15b20.3858 (14)0.8685 (4)0.568 (5)0.05070*
H16b10.509 (3)0.8937 (4)0.906 (2)0.05070*
H16b20.6408 (13)0.9089 (4)0.736 (6)0.05070*
H17b10.554 (3)0.9323 (4)0.412 (2)0.05070*
H17b20.4145 (14)0.9154 (4)0.560 (5)0.05070*
H18b10.526 (3)0.9370 (4)0.920 (2)0.05070*
H18b20.6643 (13)0.9539 (4)0.768 (5)0.05070*
H19b10.555 (4)0.9761 (6)0.420 (3)0.05070*
H19b20.4413 (16)0.9640 (5)0.629 (7)0.05070*
H19b30.593 (3)0.9868 (3)0.689 (5)0.05070*
H2c10.073 (3)0.4567 (4)1.026 (3)0.05070*
H2c20.1827 (11)0.4321 (4)0.880 (4)0.05070*
H3c10.0641 (13)0.4338 (4)1.069 (5)0.05070*
H3c20.065 (3)0.4153 (4)1.248 (2)0.05070*
H4c10.1846 (13)0.3908 (4)0.919 (6)0.05070*
H4c20.054 (3)0.4087 (4)0.744 (2)0.05070*
H5c10.0558 (12)0.3868 (4)1.055 (6)0.05070*
H5c20.070 (3)0.3695 (4)1.243 (2)0.05070*
H6c10.1974 (13)0.3440 (4)0.914 (6)0.05070*
H6c20.063 (3)0.3597 (4)0.752 (2)0.05070*
H7c10.0318 (13)0.3393 (4)1.097 (5)0.05070*
H7c20.105 (3)0.3228 (4)1.252 (2)0.05070*
H8c10.2140 (14)0.2975 (4)0.927 (5)0.05070*
H8c20.076 (3)0.3136 (4)0.776 (2)0.05070*
H9c10.0088 (14)0.2885 (4)1.118 (5)0.05070*
H9c20.129 (3)0.2727 (4)1.269 (2)0.05070*
H10c10.2428 (12)0.2490 (4)0.948 (6)0.05070*
H10c20.117 (3)0.2680 (4)0.760 (2)0.05070*
H11c10.0015 (12)0.2472 (4)1.058 (6)0.05070*
H11c20.124 (3)0.2284 (4)1.246 (2)0.05070*
H12c10.2485 (14)0.2067 (4)0.885 (5)0.05070*
H12c20.108 (3)0.2211 (4)0.750 (2)0.05070*
H13c10.0378 (15)0.1952 (4)1.132 (5)0.05070*
H13c20.188 (3)0.1788 (4)1.232 (3)0.05070*
H14c10.2660 (15)0.1582 (4)0.888 (5)0.05070*
H14c20.118 (3)0.1748 (4)0.775 (3)0.05070*
H15c10.0531 (15)0.1488 (4)1.140 (5)0.05070*
H15c20.202 (3)0.1320 (4)1.244 (3)0.05070*
H16c10.2835 (16)0.1107 (4)0.867 (5)0.05070*
H16c20.134 (3)0.1271 (4)0.768 (3)0.05070*
H17c10.0732 (17)0.1013 (4)1.108 (7)0.05070*
H17c20.0262 (19)0.0843 (5)1.204 (5)0.05070*
H18c10.3263 (13)0.0637 (4)0.922 (6)0.05070*
H18c20.194 (3)0.0808 (4)0.752 (2)0.05070*
H19c10.0988 (14)0.0556 (4)1.083 (7)0.05070*
H19c20.239 (3)0.0372 (5)1.226 (3)0.05070*
H19c30.227 (3)0.0334 (4)0.945 (4)0.05070*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
???????
Geometric parameters (Å, º) top
O1a—C11.462 (18)C8b—C9b1.518 (18)
O1a—C1a1.368 (15)C8b—H8b11.00 (2)
O2a—C1a1.273 (16)C8b—H8b21.00 (2)
O1b—C21.473 (18)C9b—C10b1.496 (17)
O1b—C1b1.368 (12)C9b—H9b11.00 (2)
O2b—C1b1.269 (15)C9b—H9b21.005 (19)
O1c—C31.454 (13)C10b—C11b1.568 (17)
O1c—C1c1.254 (12)C10b—H10b11.01 (2)
O2c—C1c1.247 (15)C10b—H10b21.01 (2)
C1—C21.509 (16)C11b—C12b1.512 (17)
C1—H111.019 (18)C11b—H11b11.00 (2)
C1—H120.99 (2)C11b—H11b21.00 (2)
C2—C31.518 (12)C12b—C13b1.523 (18)
C2—H21.002 (19)C12b—H12b11.00 (2)
C3—H311.00 (3)C12b—H12b21.01 (2)
C3—H321.00 (3)C13b—C14b1.498 (18)
C1a—C2a1.508 (16)C13b—H13b11.02 (2)
C2a—C3a1.554 (18)C13b—H13b21.01 (2)
C2a—H2a11.02 (2)C14b—C15b1.585 (17)
C2a—H2a21.00 (2)C14b—H14b11.00 (2)
C3a—C4a1.446 (18)C14b—H14b21.01 (2)
C3a—H3a11.01 (2)C15b—C16b1.560 (16)
C3a—H3a21.01 (2)C15b—H15b11.01 (2)
C4a—C5a1.50 (2)C15b—H15b21.00 (2)
C4a—H4a11.017 (18)C16b—C17b1.498 (18)
C4a—H4a21.01 (2)C16b—H16b11.01 (2)
C5a—C6a1.554 (16)C16b—H16b21.00 (2)
C5a—H5a11.01 (2)C17b—C18b1.559 (17)
C5a—H5a20.999 (18)C17b—H17b11.00 (2)
C6a—C7a1.49 (2)C17b—H17b21.00 (2)
C6a—H6a11.001 (19)C18b—C19b1.54 (2)
C6a—H6a21.015 (18)C18b—H18b11.01 (2)
C7a—C8a1.539 (17)C18b—H18b21.01 (2)
C7a—H7a11.004 (17)C19b—H19b11.01 (2)
C7a—H7a20.997 (17)C19b—H19b21.01 (3)
C8a—C9a1.580 (17)C19b—H19b31.01 (3)
C8a—H8a11.00 (2)C1c—C2c1.513 (14)
C8a—H8a21.00 (2)C2c—C3c1.564 (18)
C9a—C10a1.473 (16)C2c—H2c11.02 (3)
C9a—H9a11.01 (2)C2c—H2c20.998 (15)
C9a—H9a21.00 (2)C3c—C4c1.554 (17)
C10a—C11a1.50 (2)C3c—H3c10.989 (18)
C10a—H10a11.001 (18)C3c—H3c20.993 (19)
C10a—H10a21.007 (18)C4c—C5c1.55 (2)
C11a—C12a1.528 (17)C4c—H4c11.007 (19)
C11a—H11a11.014 (17)C4c—H4c21.004 (19)
C11a—H11a21.015 (18)C5c—C6c1.554 (17)
C12a—C13a1.598 (19)C5c—H5c11.016 (18)
C12a—H12a11.003 (18)C5c—H5c21.007 (19)
C12a—H12a21.00 (2)C6c—C7c1.509 (18)
C13a—C14a1.537 (17)C6c—H6c11.00 (2)
C13a—H13a11.005 (18)C6c—H6c20.99 (2)
C13a—H13a21.01 (2)C7c—C8c1.520 (17)
C14a—C15a1.525 (18)C7c—H7c11.00 (2)
C14a—H14a11.010 (18)C7c—H7c20.99 (2)
C14a—H14a21.00 (2)C8c—C9c1.557 (18)
C15a—C16a1.567 (16)C8c—H8c11.02 (2)
C15a—H15a10.995 (18)C8c—H8c21.00 (2)
C15a—H15a21.008 (19)C9c—C10c1.547 (17)
C16a—C17a1.521 (18)C9c—H9c11.00 (2)
C16a—H16a11.006 (19)C9c—H9c20.99 (2)
C16a—H16a21.00 (2)C10c—C11c1.53 (2)
C17a—C18a1.538 (17)C10c—H10c11.003 (18)
C17a—H17a11.003 (18)C10c—H10c21.003 (18)
C17a—H17a21.00 (2)C11c—C12c1.512 (17)
C18a—C19a1.54 (2)C11c—H11c11.015 (17)
C18a—H18a11.008 (18)C11c—H11c21.017 (18)
C18a—H18a21.011 (18)C12c—C13c1.590 (17)
C19a—H19a11.010 (19)C12c—H12c11.02 (2)
C19a—H19a21.01 (2)C12c—H12c20.99 (2)
C19a—H19a31.01 (3)C13c—C14c1.454 (17)
C1b—C2b1.52 (2)C13c—H13c11.01 (2)
C2b—C3b1.547 (17)C13c—H13c21.01 (2)
C2b—H2b10.99 (2)C14c—C15c1.542 (17)
C2b—H2b21.00 (2)C14c—H14c11.02 (2)
C3b—C4b1.518 (18)C14c—H14c21.00 (2)
C3b—H3b11.01 (2)C15c—C16c1.553 (18)
C3b—H3b21.00 (2)C15c—H15c11.02 (2)
C4b—C5b1.522 (19)C15c—H15c21.01 (2)
C4b—H4b11.02 (2)C16c—C17c1.505 (18)
C4b—H4b21.023 (19)C16c—H16c11.02 (2)
C5b—C6b1.482 (17)C16c—H16c21.00 (2)
C5b—H5b11.004 (19)C17c—C18c1.559 (18)
C5b—H5b21.011 (18)C17c—H17c11.00 (2)
C6b—C7b1.540 (18)C18c—C19c1.54 (2)
C6b—H6b11.01 (2)C18c—H18c11.01 (2)
C6b—H6b21.02 (2)C18c—H18c21.00 (2)
C7b—C8b1.515 (17)C19c—H19c11.01 (2)
C7b—H7b11.02 (2)C19c—H19c21.01 (2)
C7b—H7b21.01 (2)C19c—H19c31.01 (3)
C1—O1a—C1a116.8 (10)H8b1—C8b—H8b2111 (2)
C2—O1b—C1b111.6 (11)C8b—C9b—C10b112.6 (10)
C3—O1c—C1c120.7 (9)C8b—C9b—H9b1107 (2)
O1a—C1—C2105.8 (10)C8b—C9b—H9b2107.1 (14)
O1a—C1—H11108 (2)C10b—C9b—H9b1109.9 (13)
O1a—C1—H12110.4 (16)C10b—C9b—H9b2110 (2)
C2—C1—H11109.8 (14)H9b1—C9b—H9b2110 (2)
C2—C1—H12112 (2)C9b—C10b—C11b115.6 (10)
H11—C1—H12110 (2)C9b—C10b—H10b1108.9 (13)
O1b—C2—C1103.7 (9)C9b—C10b—H10b2109 (2)
O1b—C2—C3104.0 (11)C11b—C10b—H10b1107 (2)
O1b—C2—H2131.2 (13)C11b—C10b—H10b2106.8 (14)
C1—C2—C3114.0 (7)H10b1—C10b—H10b2109 (2)
C1—C2—H2103.0 (16)C10b—C11b—C12b115.1 (10)
C3—C2—H2101.2 (11)C10b—C11b—H11b1107 (2)
O1c—C3—C2110.2 (8)C10b—C11b—H11b2107.5 (14)
O1c—C3—H31109.9 (18)C12b—C11b—H11b1107.8 (13)
O1c—C3—H32110.1 (13)C12b—C11b—H11b2108 (2)
C2—C3—H31108.6 (12)H11b1—C11b—H11b2111 (2)
C2—C3—H32108.2 (15)C11b—C12b—C13b115.3 (10)
H31—C3—H32110 (2)C11b—C12b—H12b1108.2 (13)
O1a—C1a—O2a118.1 (14)C11b—C12b—H12b2108 (2)
O1a—C1a—C2a113.7 (10)C13b—C12b—H12b1108 (2)
O2a—C1a—C2a125.2 (10)C13b—C12b—H12b2107.2 (14)
C1a—C2a—C3a110.5 (11)H12b1—C12b—H12b2110 (3)
C1a—C2a—H2a1109 (2)C12b—C13b—C14b116.2 (10)
C1a—C2a—H2a2110.5 (13)C12b—C13b—H13b1107 (2)
C3a—C2a—H2a1107.7 (14)C12b—C13b—H13b2107.5 (15)
C3a—C2a—H2a2109 (2)C14b—C13b—H13b1108.5 (14)
H2a1—C2a—H2a2110 (3)C14b—C13b—H13b2109 (2)
C2a—C3a—C4a111.0 (10)H13b1—C13b—H13b2108 (2)
C2a—C3a—H3a1108.4 (15)C13b—C14b—C15b111.7 (9)
C2a—C3a—H3a2108 (2)C13b—C14b—H14b1110.7 (14)
C4a—C3a—H3a1111 (2)C13b—C14b—H14b2110 (2)
C4a—C3a—H3a2110.0 (14)C15b—C14b—H14b1108 (2)
H3a1—C3a—H3a2109 (2)C15b—C14b—H14b2106.9 (14)
C3a—C4a—C5a112.2 (11)H14b1—C14b—H14b2110 (2)
C3a—C4a—H4a1110 (2)C14b—C15b—C16b112.8 (9)
C3a—C4a—H4a2110.2 (15)C14b—C15b—H15b1107 (2)
C5a—C4a—H4a1108.0 (15)C14b—C15b—H15b2107.5 (13)
C5a—C4a—H4a2108 (2)C16b—C15b—H15b1108.6 (13)
H4a1—C4a—H4a2108 (3)C16b—C15b—H15b2110 (2)
C4a—C5a—C6a114.2 (10)H15b1—C15b—H15b2111 (2)
C4a—C5a—H5a1106.8 (14)C15b—C16b—C17b112.6 (10)
C4a—C5a—H5a2108 (2)C15b—C16b—H16b1109.3 (13)
C6a—C5a—H5a1108 (2)C15b—C16b—H16b2110 (2)
C6a—C5a—H5a2109.4 (14)C17b—C16b—H16b1107 (2)
H5a1—C5a—H5a2110 (3)C17b—C16b—H16b2107.9 (14)
C5a—C6a—C7a113.0 (10)H16b1—C16b—H16b2110 (3)
C5a—C6a—H6a1110 (2)C16b—C17b—C18b107.9 (10)
C5a—C6a—H6a2108.5 (14)C16b—C17b—H17b1109 (2)
C7a—C6a—H6a1108.9 (14)C16b—C17b—H17b2109.2 (14)
C7a—C6a—H6a2108 (2)C18b—C17b—H17b1110.0 (13)
H6a1—C6a—H6a2109 (3)C18b—C17b—H17b2110 (2)
C6a—C7a—C8a114.0 (10)H17b1—C17b—H17b2111 (2)
C6a—C7a—H7a1107.7 (14)C17b—C18b—C19b110.6 (10)
C6a—C7a—H7a2108 (3)C17b—C18b—H18b1109.7 (13)
C8a—C7a—H7a1108 (2)C17b—C18b—H18b2109 (2)
C8a—C7a—H7a2108.6 (15)C19b—C18b—H18b1109 (2)
H7a1—C7a—H7a2111 (3)C19b—C18b—H18b2109.0 (15)
C7a—C8a—C9a114.1 (10)H18b1—C18b—H18b2109 (2)
C7a—C8a—H8a1108 (2)C18b—C19b—H19b1110 (3)
C7a—C8a—H8a2107.9 (13)C18b—C19b—H19b2109.9 (17)
C9a—C8a—H8a1108.1 (13)C18b—C19b—H19b3109 (2)
C9a—C8a—H8a2108 (2)H19b1—C19b—H19b2110 (3)
H8a1—C8a—H8a2111 (3)H19b1—C19b—H19b3109 (2)
C8a—C9a—C10a112.7 (10)H19b2—C19b—H19b3110 (3)
C8a—C9a—H9a1107.9 (13)O1c—C1c—O2c116.5 (10)
C8a—C9a—H9a2109 (2)O1c—C1c—C2c115.9 (9)
C10a—C9a—H9a1108 (2)O2c—C1c—C2c126.9 (10)
C10a—C9a—H9a2109.2 (13)C1c—C2c—C3c109.7 (12)
H9a1—C9a—H9a2110 (3)C1c—C2c—H2c1109.9 (14)
C9a—C10a—C11a112.9 (10)C1c—C2c—H2c2111.2 (15)
C9a—C10a—H10a1109 (2)C3c—C2c—H2c1107.5 (17)
C9a—C10a—H10a2108.3 (14)C3c—C2c—H2c2108.6 (15)
C11a—C10a—H10a1108.4 (14)H2c1—C2c—H2c2110 (3)
C11a—C10a—H10a2108 (2)C2c—C3c—C4c104.7 (9)
H10a1—C10a—H10a2110 (3)C2c—C3c—H3c1109.6 (14)
C10a—C11a—C12a115.6 (10)C2c—C3c—H3c2110 (2)
C10a—C11a—H11a1107.6 (15)C4c—C3c—H3c1110 (2)
C10a—C11a—H11a2108 (2)C4c—C3c—H3c2109.6 (14)
C12a—C11a—H11a1109 (2)H3c1—C3c—H3c2112 (2)
C12a—C11a—H11a2108.8 (14)C3c—C4c—C5c111.3 (10)
H11a1—C11a—H11a2108 (3)C3c—C4c—H4c1108 (2)
C11a—C12a—C13a110.2 (10)C3c—C4c—H4c2108.2 (14)
C11a—C12a—H12a1110 (2)C5c—C4c—H4c1109.7 (14)
C11a—C12a—H12a2110.4 (14)C5c—C4c—H4c2110 (2)
C13a—C12a—H12a1107.6 (14)H4c1—C4c—H4c2110 (3)
C13a—C12a—H12a2108 (2)C4c—C5c—C6c113.2 (10)
H12a1—C12a—H12a2110 (3)C4c—C5c—H5c1108.6 (14)
C12a—C13a—C14a111.4 (10)C4c—C5c—H5c2110 (2)
C12a—C13a—H13a1107.4 (14)C6c—C5c—H5c1108 (2)
C12a—C13a—H13a2108 (2)C6c—C5c—H5c2108.5 (14)
C14a—C13a—H13a1111 (2)H5c1—C5c—H5c2109 (3)
C14a—C13a—H13a2110.2 (14)C5c—C6c—C7c110.8 (10)
H13a1—C13a—H13a2110 (3)C5c—C6c—H6c1109 (2)
C13a—C14a—C15a116.0 (10)C5c—C6c—H6c2109.5 (13)
C13a—C14a—H14a1109 (2)C7c—C6c—H6c1107.7 (14)
C13a—C14a—H14a2109.4 (13)C7c—C6c—H6c2108 (2)
C15a—C14a—H14a1106.1 (14)H6c1—C6c—H6c2111 (3)
C15a—C14a—H14a2107 (2)C6c—C7c—C8c112.4 (10)
H14a1—C14a—H14a2109 (3)C6c—C7c—H7c1106.6 (14)
C14a—C15a—C16a113.2 (10)C6c—C7c—H7c2108 (2)
C14a—C15a—H15a1108.0 (14)C8c—C7c—H7c1109 (2)
C14a—C15a—H15a2107 (2)C8c—C7c—H7c2109.7 (14)
C16a—C15a—H15a1109 (2)H7c1—C7c—H7c2111 (3)
C16a—C15a—H15a2108.5 (12)C7c—C8c—C9c116.1 (10)
H15a1—C15a—H15a2111 (2)C7c—C8c—H8c1108 (2)
C15a—C16a—C17a108.8 (10)C7c—C8c—H8c2108.7 (13)
C15a—C16a—H16a1110 (2)C9c—C8c—H8c1106.9 (13)
C15a—C16a—H16a2110.1 (13)C9c—C8c—H8c2108 (2)
C17a—C16a—H16a1108.5 (14)H8c1—C8c—H8c2109 (2)
C17a—C16a—H16a2109 (2)C8c—C9c—C10c109.3 (9)
H16a1—C16a—H16a2110 (3)C8c—C9c—H9c1109.3 (14)
C16a—C17a—C18a111.9 (10)C8c—C9c—H9c2110 (2)
C16a—C17a—H17a1108.0 (14)C10c—C9c—H9c1108 (2)
C16a—C17a—H17a2108 (2)C10c—C9c—H9c2108.5 (13)
C18a—C17a—H17a1109 (2)H9c1—C9c—H9c2112 (3)
C18a—C17a—H17a2109.0 (14)C9c—C10c—C11c109.9 (10)
H17a1—C17a—H17a2111 (3)C9c—C10c—H10c1108 (2)
C17a—C18a—C19a113.6 (10)C9c—C10c—H10c2108.4 (13)
C17a—C18a—H18a1108 (2)C11c—C10c—H10c1110.0 (15)
C17a—C18a—H18a2108.2 (14)C11c—C10c—H10c2110 (2)
C19a—C18a—H18a1108.7 (14)H10c1—C10c—H10c2110 (3)
C19a—C18a—H18a2108 (2)C10c—C11c—C12c113.0 (10)
H18a1—C18a—H18a2109 (3)C10c—C11c—H11c1108.6 (14)
C18a—C19a—H19a1108.5 (17)C10c—C11c—H11c2108 (2)
C18a—C19a—H19a2109 (3)C12c—C11c—H11c1110 (2)
C18a—C19a—H19a3113 (2)C12c—C11c—H11c2109.4 (14)
H19a1—C19a—H19a2109 (3)H11c1—C11c—H11c2108 (3)
H19a1—C19a—H19a3108 (3)C11c—C12c—C13c112.9 (9)
H19a2—C19a—H19a3109 (2)C11c—C12c—H12c1109 (2)
O1b—C1b—O2b123.5 (12)C11c—C12c—H12c2110.5 (13)
O1b—C1b—C2b113.2 (11)C13c—C12c—H12c1106.3 (13)
O2b—C1b—C2b120.4 (13)C13c—C12c—H12c2108 (2)
C1b—C2b—C3b111.3 (10)H12c1—C12c—H12c2110 (2)
C1b—C2b—H2b1110.3 (15)C12c—C13c—C14c114.7 (9)
C1b—C2b—H2b2109 (2)C12c—C13c—H13c1106.4 (13)
C3b—C2b—H2b1108 (2)C12c—C13c—H13c2107 (2)
C3b—C2b—H2b2106.5 (14)C14c—C13c—H13c1110 (2)
H2b1—C2b—H2b2111 (2)C14c—C13c—H13c2109.4 (13)
C2b—C3b—C4b109.5 (9)H13c1—C13c—H13c2110 (2)
C2b—C3b—H3b1107 (2)C13c—C14c—C15c115.6 (10)
C2b—C3b—H3b2107.6 (14)C13c—C14c—H14c1109 (2)
C4b—C3b—H3b1111.5 (14)C13c—C14c—H14c2110.6 (14)
C4b—C3b—H3b2112 (2)C15c—C14c—H14c1105.4 (14)
H3b1—C3b—H3b2110 (2)C15c—C14c—H14c2107 (2)
C3b—C4b—C5b116.2 (10)H14c1—C14c—H14c2109 (2)
C3b—C4b—H4b1109.3 (13)C14c—C15c—C16c113.5 (9)
C3b—C4b—H4b2109 (2)C14c—C15c—H15c1106.3 (14)
C5b—C4b—H4b1107 (2)C14c—C15c—H15c2107 (2)
C5b—C4b—H4b2107.3 (14)C16c—C15c—H15c1110 (2)
H4b1—C4b—H4b2107 (2)C16c—C15c—H15c2111.3 (13)
C4b—C5b—C6b114.6 (10)H15c1—C15c—H15c2108 (2)
C4b—C5b—H5b1108 (2)C15c—C16c—C17c110.0 (10)
C4b—C5b—H5b2107.7 (14)C15c—C16c—H16c1111 (2)
C6b—C5b—H5b1108.5 (13)C15c—C16c—H16c2113.0 (13)
C6b—C5b—H5b2108 (2)C17c—C16c—H16c1105.7 (14)
H5b1—C5b—H5b2109 (3)C17c—C16c—H16c2108 (2)
C5b—C6b—C7b113.5 (10)H16c1—C16c—H16c2109 (2)
C5b—C6b—H6b1109.0 (13)C16c—C17c—C18c107.2 (10)
C5b—C6b—H6b2109 (2)C16c—C17c—H17c1106.9 (15)
C7b—C6b—H6b1108 (2)C18c—C17c—H17c1108 (2)
C7b—C6b—H6b2107.9 (14)C17c—C18c—C19c112.2 (10)
H6b1—C6b—H6b2109 (3)C17c—C18c—H18c1107 (2)
C6b—C7b—C8b113.4 (10)C17c—C18c—H18c2108.0 (13)
C6b—C7b—H7b1108 (2)C19c—C18c—H18c1109.0 (14)
C6b—C7b—H7b2108.5 (14)C19c—C18c—H18c2110 (2)
C8b—C7b—H7b1108.8 (13)H18c1—C18c—H18c2110 (3)
C8b—C7b—H7b2109 (2)C18c—C19c—H19c1109.0 (16)
H7b1—C7b—H7b2108 (2)C18c—C19c—H19c2109 (3)
C7b—C8b—C9b110.3 (10)C18c—C19c—H19c3113 (2)
C7b—C8b—H8b1109.5 (13)H19c1—C19c—H19c2109 (3)
C7b—C8b—H8b2110 (2)H19c1—C19c—H19c3108 (3)
C9b—C8b—H8b1108 (2)H19c2—C19c—H19c3109 (2)
C9b—C8b—H8b2108.2 (14)
 

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