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The synthesis and crystal structure of the title new chiral Schiff base, C40H36N2O2, derived from BINOL (1'1-bi-2-naphthol), are presented.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804010931/cv6288sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804010931/cv6288Isup2.hkl
Contains datablock I

CCDC reference: 242325

Key indicators

  • Single-crystal X-ray study
  • T = 294 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.049
  • wR factor = 0.118
  • Data-to-parameter ratio = 10.7

checkCIF/PLATON results

No syntax errors found



Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.100 PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 40 Perc. PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.13 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C1 - C10 .. 5.28 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C2 - C21 .. 6.99 su PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C36 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C23 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C32 PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5 PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 52.00 A   3
Alert level G ABSTY01_ALERT_1_G Extra text has been found in the _exptl_absorpt_correction_type field, which should be only a single keyword. A literature citation should be included in the _exptl_absorpt_process_details field. REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.56 From the CIF: _reflns_number_total 4309 Count of symmetry unique reflns 4336 Completeness (_total/calc) 99.38% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1995); cell refinement: SMART; data reduction: SHELXTL (Bruker, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

(R)-2,2'-Dimethoxy-3,3'-bis{[(1S)-1-phenylethyl]iminomethyl}-1,1'- binaphthalene top
Crystal data top
C40H36N2O2Dx = 1.143 Mg m3
Mr = 576.71Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, P212121Cell parameters from 3352 reflections
a = 9.614 (2) Åθ = 1–17.5°
b = 15.270 (4) ŵ = 0.07 mm1
c = 22.838 (5) ÅT = 294 K
V = 3352.8 (14) Å3Plate, colorless
Z = 40.40 × 0.28 × 0.10 mm
F(000) = 1224
Data collection top
Bruker SMART CCD area-detector
diffractometer
4309 independent reflections
Radiation source: fine-focus sealed tube1718 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.100
φ and ω scansθmax = 27.6°, θmin = 2.3°
Absorption correction: multi scans
(SADABS; Sheldrick, 1996)
h = 1212
Tmin = 0.973, Tmax = 0.993k = 1914
22940 measured reflectionsl = 2929
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.049H-atom parameters constrained
wR(F2) = 0.118 w = 1/[σ2(Fo2) + (0.035P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.01(Δ/σ)max = 0.006
4309 reflectionsΔρmax = 0.29 e Å3
402 parametersΔρmin = 0.17 e Å3
18 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0022 (4)
Special details top

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
O10.2021 (2)0.09955 (12)0.18980 (9)0.0606 (7)
O20.1961 (2)0.01269 (13)0.05161 (9)0.0605 (7)
N10.0269 (3)0.31859 (16)0.22208 (12)0.0579 (8)
N20.3655 (3)0.22952 (16)0.05672 (12)0.0646 (9)
C10.2219 (3)0.16980 (18)0.15185 (13)0.0465 (9)
C20.1426 (3)0.24627 (19)0.16196 (13)0.0434 (9)
C30.1550 (3)0.31506 (19)0.12366 (13)0.0465 (9)
H30.10160.36510.12940.056*
C40.2465 (3)0.31126 (18)0.07607 (13)0.0449 (9)
C50.2592 (3)0.38212 (19)0.03702 (13)0.0583 (10)
H50.20690.43260.04300.070*
C60.3481 (4)0.3772 (2)0.00980 (15)0.0707 (12)
H60.35610.42430.03540.085*
C70.4267 (4)0.3017 (2)0.01906 (15)0.0683 (12)
H70.48670.29890.05090.082*
C80.4166 (4)0.2318 (2)0.01802 (14)0.0589 (10)
H80.47030.18220.01110.071*
C90.3260 (3)0.23354 (19)0.06681 (13)0.0446 (9)
C100.3117 (3)0.16231 (18)0.10537 (13)0.0448 (9)
C110.3916 (3)0.07878 (19)0.09726 (13)0.0455 (9)
C120.5320 (3)0.07170 (19)0.11898 (13)0.0456 (9)
C130.6028 (4)0.1430 (2)0.14243 (14)0.0612 (11)
H130.55870.19710.14480.073*
C140.7375 (4)0.1343 (2)0.16216 (15)0.0669 (11)
H140.78400.18280.17710.080*
C150.8041 (4)0.05441 (19)0.16003 (15)0.0667 (11)
H150.89470.04940.17390.080*
C160.7385 (3)0.0170 (2)0.13785 (13)0.0570 (10)
H160.78380.07080.13720.068*
C170.6003 (3)0.00967 (19)0.11557 (12)0.0444 (9)
C180.5293 (3)0.0821 (2)0.09278 (13)0.0515 (10)
H180.57340.13630.09250.062*
C190.3960 (4)0.07564 (19)0.07072 (13)0.0466 (9)
C200.3309 (3)0.0071 (2)0.07356 (13)0.0477 (9)
C210.0403 (3)0.2500 (2)0.21023 (13)0.0525 (10)
H210.02500.20000.23260.063*
C220.1307 (3)0.3145 (2)0.26829 (14)0.0537 (10)
H220.13400.25450.28350.064*
C230.2725 (3)0.33791 (19)0.24419 (13)0.0527 (10)
C240.3893 (4)0.3235 (2)0.27769 (16)0.0753 (13)
H240.38030.29970.31500.090*
C250.5199 (4)0.3440 (3)0.25651 (19)0.0972 (16)
H250.59770.33380.27970.117*
C260.5363 (5)0.3791 (3)0.20176 (18)0.1012 (16)
H260.62460.39260.18780.121*
C270.4223 (4)0.3942 (3)0.16783 (19)0.0989 (15)
H270.43250.41830.13070.119*
C280.2908 (4)0.3733 (2)0.18875 (16)0.0773 (13)
H280.21360.38330.16520.093*
C290.0885 (4)0.3764 (2)0.31832 (15)0.0836 (13)
H29A0.00310.36140.33180.125*
H29B0.15340.37080.35000.125*
H29C0.08860.43570.30440.125*
C300.3221 (4)0.15323 (19)0.04934 (13)0.0521 (10)
H300.23880.14530.02930.063*
C310.2805 (4)0.3017 (2)0.03422 (15)0.0683 (12)
H310.20600.27770.00970.082*
C320.2172 (3)0.3526 (2)0.08345 (14)0.0658 (12)
C330.2965 (4)0.3817 (2)0.12994 (14)0.0883 (14)
H330.39090.36860.13140.106*
C340.2361 (4)0.4303 (3)0.17431 (18)0.1161 (19)
H340.29090.45140.20470.139*
C350.0958 (4)0.4477 (3)0.17387 (18)0.125 (2)
H350.05540.47810.20480.150*
C360.0154 (5)0.4204 (3)0.12785 (17)0.136 (2)
H360.07850.43470.12610.163*
C370.0766 (4)0.3709 (3)0.08388 (17)0.0919 (15)
H370.02110.34950.05380.110*
C380.3750 (5)0.3598 (2)0.00366 (19)0.1037 (16)
H38A0.41200.32590.03550.156*
H38B0.32200.40790.01900.156*
H38C0.45010.38190.01980.156*
C390.2962 (5)0.0975 (3)0.23807 (16)0.0959 (15)
H39A0.38910.08820.22400.144*
H39B0.27080.05070.26410.144*
H39C0.29200.15220.25870.144*
C400.1901 (4)0.0361 (2)0.00935 (16)0.0896 (14)
H40A0.22170.09530.01420.134*
H40B0.09590.03130.02300.134*
H40C0.24850.00260.03150.134*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O10.0611 (15)0.0440 (13)0.0768 (15)0.0038 (12)0.0096 (13)0.0076 (12)
O20.0443 (13)0.0562 (14)0.0810 (15)0.0041 (12)0.0123 (13)0.0103 (12)
N10.0591 (18)0.0398 (16)0.0748 (19)0.0002 (15)0.0160 (17)0.0068 (14)
N20.075 (2)0.0344 (16)0.084 (2)0.0007 (16)0.0088 (19)0.0122 (15)
C10.045 (2)0.0298 (17)0.065 (2)0.0012 (16)0.0028 (18)0.0054 (16)
C20.0339 (18)0.0385 (18)0.058 (2)0.0007 (15)0.0052 (17)0.0083 (16)
C30.043 (2)0.0329 (18)0.064 (2)0.0042 (16)0.0006 (18)0.0017 (16)
C40.043 (2)0.0305 (17)0.061 (2)0.0010 (16)0.0009 (18)0.0016 (16)
C50.070 (2)0.0383 (19)0.067 (2)0.0065 (19)0.001 (2)0.0018 (18)
C60.093 (3)0.051 (2)0.068 (2)0.011 (2)0.020 (2)0.0060 (19)
C70.077 (3)0.056 (2)0.072 (2)0.007 (2)0.019 (2)0.005 (2)
C80.061 (2)0.047 (2)0.069 (2)0.0081 (18)0.010 (2)0.0001 (19)
C90.043 (2)0.0360 (18)0.055 (2)0.0017 (16)0.0010 (18)0.0063 (16)
C100.043 (2)0.0341 (18)0.0572 (19)0.0068 (17)0.0045 (18)0.0015 (16)
C110.050 (2)0.0319 (18)0.0542 (19)0.0068 (17)0.0035 (18)0.0014 (15)
C120.048 (2)0.0312 (18)0.058 (2)0.0023 (17)0.0022 (18)0.0062 (16)
C130.055 (2)0.049 (2)0.080 (2)0.0080 (19)0.004 (2)0.0169 (19)
C140.059 (2)0.053 (2)0.089 (3)0.002 (2)0.017 (2)0.015 (2)
C150.055 (2)0.058 (2)0.087 (3)0.008 (2)0.018 (2)0.015 (2)
C160.058 (2)0.049 (2)0.064 (2)0.0131 (19)0.007 (2)0.0047 (18)
C170.048 (2)0.0351 (18)0.0502 (19)0.0066 (17)0.0003 (17)0.0020 (15)
C180.056 (2)0.0361 (19)0.062 (2)0.0056 (18)0.000 (2)0.0027 (17)
C190.056 (2)0.0299 (18)0.0544 (19)0.0005 (17)0.0017 (19)0.0014 (16)
C200.040 (2)0.042 (2)0.060 (2)0.0033 (18)0.0025 (18)0.0021 (17)
C210.053 (2)0.042 (2)0.063 (2)0.0042 (18)0.0018 (19)0.0007 (17)
C220.047 (2)0.049 (2)0.065 (2)0.0019 (18)0.008 (2)0.0010 (18)
C230.058 (2)0.041 (2)0.060 (2)0.0024 (18)0.001 (2)0.0135 (16)
C240.051 (2)0.104 (3)0.071 (2)0.001 (2)0.013 (2)0.013 (2)
C250.051 (3)0.121 (4)0.120 (4)0.008 (3)0.004 (3)0.046 (3)
C260.082 (3)0.087 (3)0.134 (4)0.020 (3)0.042 (3)0.041 (3)
C270.111 (4)0.079 (3)0.107 (3)0.011 (3)0.038 (3)0.005 (3)
C280.083 (3)0.065 (3)0.084 (3)0.002 (2)0.006 (3)0.001 (2)
C290.058 (2)0.100 (3)0.093 (3)0.001 (2)0.001 (2)0.035 (3)
C300.059 (2)0.039 (2)0.059 (2)0.0015 (18)0.0050 (19)0.0044 (17)
C310.081 (3)0.035 (2)0.089 (3)0.002 (2)0.009 (2)0.0067 (19)
C320.096 (3)0.0330 (19)0.069 (2)0.006 (2)0.011 (2)0.0066 (18)
C330.118 (4)0.064 (3)0.082 (3)0.014 (3)0.012 (3)0.006 (2)
C340.169 (5)0.075 (3)0.104 (3)0.032 (3)0.001 (4)0.009 (3)
C350.200 (6)0.072 (3)0.104 (4)0.017 (4)0.038 (5)0.015 (3)
C360.161 (5)0.136 (4)0.110 (4)0.075 (4)0.020 (4)0.006 (4)
C370.089 (3)0.092 (3)0.094 (3)0.018 (3)0.008 (3)0.007 (3)
C380.129 (4)0.061 (3)0.121 (3)0.002 (3)0.015 (3)0.030 (3)
C390.102 (3)0.103 (3)0.083 (3)0.005 (3)0.004 (3)0.036 (2)
C400.089 (3)0.081 (3)0.099 (3)0.004 (2)0.044 (3)0.001 (2)
Geometric parameters (Å, º) top
O1—C11.392 (3)C21—H210.9300
O1—C391.426 (4)C22—C231.513 (4)
O2—C201.392 (3)C22—C291.538 (4)
O2—C401.439 (4)C22—H220.9800
N1—C211.260 (4)C23—C241.377 (4)
N1—C221.454 (4)C23—C281.388 (4)
N2—C301.249 (4)C24—C251.381 (5)
N2—C311.465 (4)C24—H240.9300
C1—C101.373 (4)C25—C261.370 (5)
C1—C21.413 (4)C25—H250.9300
C2—C31.372 (4)C26—C271.362 (5)
C2—C211.479 (4)C26—H260.9300
C3—C41.400 (4)C27—C281.388 (5)
C3—H30.9300C27—H270.9300
C4—C51.407 (4)C28—H280.9300
C4—C91.427 (4)C29—H29A0.9600
C5—C61.371 (4)C29—H29B0.9600
C5—H50.9300C29—H29C0.9600
C6—C71.394 (4)C30—H300.9300
C6—H60.9300C31—C321.496 (4)
C7—C81.366 (4)C31—C381.537 (5)
C7—H70.9300C31—H310.9800
C8—C91.415 (4)C32—C331.380 (3)
C8—H80.9300C32—C371.381 (4)
C9—C101.406 (4)C33—C341.384 (4)
C10—C111.500 (4)C33—H330.9300
C11—C201.353 (4)C34—C351.375 (4)
C11—C121.442 (4)C34—H340.9300
C12—C131.391 (4)C35—C361.370 (4)
C12—C171.407 (4)C35—H350.9300
C13—C141.378 (4)C36—C371.387 (4)
C13—H130.9300C36—H360.9300
C14—C151.379 (4)C37—H370.9300
C14—H140.9300C38—H38A0.9600
C15—C161.357 (4)C38—H38B0.9600
C15—H150.9300C38—H38C0.9600
C16—C171.427 (4)C39—H39A0.9600
C16—H160.9300C39—H39B0.9600
C17—C181.400 (4)C39—H39C0.9600
C18—C191.381 (4)C40—H40A0.9600
C18—H180.9300C40—H40B0.9600
C19—C201.412 (4)C40—H40C0.9600
C19—C301.465 (4)
C1—O1—C39114.3 (2)C23—C22—H22108.7
C20—O2—C40113.7 (3)C29—C22—H22108.7
C21—N1—C22118.1 (3)C24—C23—C28117.7 (3)
C30—N2—C31117.9 (3)C24—C23—C22119.7 (3)
C10—C1—O1120.2 (3)C28—C23—C22122.6 (3)
C10—C1—C2122.3 (3)C23—C24—C25120.7 (4)
O1—C1—C2117.5 (3)C23—C24—H24119.6
C3—C2—C1118.8 (3)C25—C24—H24119.6
C3—C2—C21120.2 (3)C26—C25—C24120.9 (4)
C1—C2—C21120.8 (3)C26—C25—H25119.6
C2—C3—C4121.2 (3)C24—C25—H25119.6
C2—C3—H3119.4C27—C26—C25119.5 (4)
C4—C3—H3119.4C27—C26—H26120.2
C3—C4—C5121.0 (3)C25—C26—H26120.2
C3—C4—C9119.1 (3)C26—C27—C28119.9 (4)
C5—C4—C9119.9 (3)C26—C27—H27120.1
C6—C5—C4120.4 (3)C28—C27—H27120.1
C6—C5—H5119.8C23—C28—C27121.3 (4)
C4—C5—H5119.8C23—C28—H28119.4
C5—C6—C7120.1 (3)C27—C28—H28119.4
C5—C6—H6120.0C22—C29—H29A109.5
C7—C6—H6120.0C22—C29—H29B109.5
C8—C7—C6120.9 (3)H29A—C29—H29B109.5
C8—C7—H7119.5C22—C29—H29C109.5
C6—C7—H7119.5H29A—C29—H29C109.5
C7—C8—C9121.1 (3)H29B—C29—H29C109.5
C7—C8—H8119.4N2—C30—C19123.1 (3)
C9—C8—H8119.4N2—C30—H30118.4
C10—C9—C8122.6 (3)C19—C30—H30118.4
C10—C9—C4119.9 (3)N2—C31—C32110.7 (3)
C8—C9—C4117.5 (3)N2—C31—C38107.6 (3)
C1—C10—C9118.7 (3)C32—C31—C38111.3 (3)
C1—C10—C11119.2 (3)N2—C31—H31109.1
C9—C10—C11122.0 (3)C32—C31—H31109.1
C20—C11—C12118.7 (3)C38—C31—H31109.1
C20—C11—C10121.1 (3)C33—C32—C37118.0 (3)
C12—C11—C10120.0 (3)C33—C32—C31121.4 (3)
C13—C12—C17118.9 (3)C37—C32—C31120.6 (3)
C13—C12—C11122.1 (3)C32—C33—C34120.3 (4)
C17—C12—C11118.9 (3)C32—C33—H33119.8
C14—C13—C12120.7 (3)C34—C33—H33119.8
C14—C13—H13119.7C35—C34—C33120.7 (4)
C12—C13—H13119.7C35—C34—H34119.7
C13—C14—C15120.7 (3)C33—C34—H34119.7
C13—C14—H14119.6C36—C35—C34120.0 (4)
C15—C14—H14119.6C36—C35—H35120.0
C16—C15—C14120.5 (3)C34—C35—H35120.0
C16—C15—H15119.7C35—C36—C37118.8 (4)
C14—C15—H15119.7C35—C36—H36120.6
C15—C16—C17120.2 (3)C37—C36—H36120.6
C15—C16—H16119.9C32—C37—C36122.1 (4)
C17—C16—H16119.9C32—C37—H37119.0
C18—C17—C12119.4 (3)C36—C37—H37119.0
C18—C17—C16121.6 (3)C31—C38—H38A109.5
C12—C17—C16118.9 (3)C31—C38—H38B109.5
C19—C18—C17122.1 (3)H38A—C38—H38B109.5
C19—C18—H18118.9C31—C38—H38C109.5
C17—C18—H18118.9H38A—C38—H38C109.5
C18—C19—C20117.3 (3)H38B—C38—H38C109.5
C18—C19—C30121.0 (3)O1—C39—H39A109.5
C20—C19—C30121.6 (3)O1—C39—H39B109.5
C11—C20—O2119.7 (3)H39A—C39—H39B109.5
C11—C20—C19123.4 (3)O1—C39—H39C109.5
O2—C20—C19116.8 (3)H39A—C39—H39C109.5
N1—C21—C2122.2 (3)H39B—C39—H39C109.5
N1—C21—H21118.9O2—C40—H40A109.5
C2—C21—H21118.9O2—C40—H40B109.5
N1—C22—C23110.1 (3)H40A—C40—H40B109.5
N1—C22—C29109.4 (3)O2—C40—H40C109.5
C23—C22—C29111.2 (3)H40A—C40—H40C109.5
N1—C22—H22108.7H40B—C40—H40C109.5
C39—O1—C1—C1089.3 (3)C12—C17—C18—C193.2 (5)
C39—O1—C1—C293.1 (3)C16—C17—C18—C19179.5 (3)
C10—C1—C2—C30.7 (4)C17—C18—C19—C201.9 (4)
O1—C1—C2—C3177.0 (3)C17—C18—C19—C30177.5 (3)
C10—C1—C2—C21176.1 (3)C12—C11—C20—O2179.2 (3)
O1—C1—C2—C211.6 (4)C10—C11—C20—O25.6 (4)
C1—C2—C3—C41.5 (4)C12—C11—C20—C192.3 (5)
C21—C2—C3—C4177.0 (3)C10—C11—C20—C19172.9 (3)
C2—C3—C4—C5179.8 (3)C40—O2—C20—C1190.3 (3)
C2—C3—C4—C91.3 (4)C40—O2—C20—C1991.0 (3)
C3—C4—C5—C6179.3 (3)C18—C19—C20—C110.9 (5)
C9—C4—C5—C60.4 (5)C30—C19—C20—C11174.6 (3)
C4—C5—C6—C70.1 (5)C18—C19—C20—O2179.5 (3)
C5—C6—C7—C80.0 (5)C30—C19—C20—O24.0 (4)
C6—C7—C8—C90.3 (5)C22—N1—C21—C2176.7 (3)
C7—C8—C9—C10179.1 (3)C3—C2—C21—N18.2 (5)
C7—C8—C9—C40.5 (5)C1—C2—C21—N1176.5 (3)
C3—C4—C9—C100.1 (4)C21—N1—C22—C23120.3 (3)
C5—C4—C9—C10179.1 (3)C21—N1—C22—C29117.1 (3)
C3—C4—C9—C8179.5 (3)N1—C22—C23—C24168.7 (3)
C5—C4—C9—C80.6 (4)C29—C22—C23—C2469.9 (4)
O1—C1—C10—C9178.0 (3)N1—C22—C23—C2810.8 (4)
C2—C1—C10—C90.5 (5)C29—C22—C23—C28110.6 (3)
O1—C1—C10—C112.0 (4)C28—C23—C24—C250.2 (5)
C2—C1—C10—C11179.6 (3)C22—C23—C24—C25179.7 (3)
C8—C9—C10—C1179.6 (3)C23—C24—C25—C260.0 (6)
C4—C9—C10—C10.7 (4)C24—C25—C26—C270.1 (7)
C8—C9—C10—C110.3 (5)C25—C26—C27—C280.4 (6)
C4—C9—C10—C11179.3 (3)C24—C23—C28—C270.5 (5)
C1—C10—C11—C2078.7 (4)C22—C23—C28—C27180.0 (3)
C9—C10—C11—C20101.4 (4)C26—C27—C28—C230.6 (6)
C1—C10—C11—C1296.5 (4)C31—N2—C30—C19178.8 (3)
C9—C10—C11—C1283.5 (4)C18—C19—C30—N29.8 (5)
C20—C11—C12—C13178.2 (3)C20—C19—C30—N2165.5 (3)
C10—C11—C12—C136.6 (5)C30—N2—C31—C32110.1 (3)
C20—C11—C12—C170.9 (4)C30—N2—C31—C38128.0 (3)
C10—C11—C12—C17174.3 (3)N2—C31—C32—C3349.4 (4)
C17—C12—C13—C140.1 (5)C38—C31—C32—C3370.2 (4)
C11—C12—C13—C14179.2 (3)N2—C31—C32—C37129.9 (4)
C12—C13—C14—C151.2 (5)C38—C31—C32—C37110.5 (4)
C13—C14—C15—C160.7 (5)C37—C32—C33—C342.1 (5)
C14—C15—C16—C171.0 (5)C31—C32—C33—C34178.6 (3)
C13—C12—C17—C18179.1 (3)C32—C33—C34—C352.2 (6)
C11—C12—C17—C181.8 (4)C33—C34—C35—C363.0 (7)
C13—C12—C17—C161.8 (4)C34—C35—C36—C373.6 (7)
C11—C12—C17—C16179.1 (3)C33—C32—C37—C362.9 (6)
C15—C16—C17—C18179.5 (3)C31—C32—C37—C36177.8 (4)
C15—C16—C17—C122.3 (5)C35—C36—C37—C323.6 (7)
 

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