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The crystal structure of glochidone [or lup-1,20(29)-dien-3-one], C30H46O, from the plant Agyneia bacciformis A. Juss has been determined. This natural product has anti-inflammatory activity. The rings A/B, B/C, C/D and D/E are trans fused. The mol­ecules in the crystal structure are stabilized by C—H...O short contacts and van der Waals forces.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680401236X/ci6374sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680401236X/ci6374Isup2.hkl
Contains datablock I

CCDC reference: 242359

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.061
  • wR factor = 0.152
  • Data-to-parameter ratio = 12.0

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.06 Ratio PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.65 Ratio
Alert level C PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C20 PLAT412_ALERT_2_C Short Intra XH3 .. XHn H15B .. H26B .. 1.87 Ang.
Alert level G 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 27.99 From the CIF: _reflns_number_total 3423 Count of symmetry unique reflns 3445 Completeness (_total/calc) 99.36% 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 2 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ZORTEP (Zsolnai, 1997); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 1990).

(I) top
Crystal data top
C30H46OF(000) = 936
Mr = 422.67Dx = 1.103 Mg m3
Orthorhombic, P212121Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2abCell parameters from 6028 reflections
a = 10.422 (4) Åθ = 1.9–28.0°
b = 13.881 (5) ŵ = 0.06 mm1
c = 17.591 (6) ÅT = 293 K
V = 2544.8 (15) Å3Block, colourless
Z = 40.48 × 0.40 × 0.40 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
2726 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.044
Graphite monochromatorθmax = 28.0°, θmin = 1.9°
ω scansh = 1313
22282 measured reflectionsk = 1818
3423 independent reflectionsl = 2323
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.061Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.152H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.079P)2 + 0.3676P]
where P = (Fo2 + 2Fc2)/3
3423 reflections(Δ/σ)max < 0.001
286 parametersΔρmax = 0.24 e Å3
0 restraintsΔρmin = 0.18 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

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
C10.7392 (4)0.8276 (2)0.56012 (16)0.0630 (9)
H10.75180.76340.57320.076*
C20.6871 (4)0.8853 (3)0.61138 (17)0.0689 (9)
H20.66540.85900.65830.083*
C30.6616 (4)0.9867 (3)0.59929 (18)0.0739 (10)
C40.6865 (4)1.0288 (2)0.52050 (16)0.0603 (8)
C50.6938 (3)0.94685 (19)0.46138 (14)0.0455 (6)
H50.60650.92060.45970.055*
C60.7199 (3)0.97943 (19)0.38023 (15)0.0490 (7)
H6A0.81000.99550.37470.059*
H6B0.66991.03670.36910.059*
C70.6844 (3)0.89931 (18)0.32444 (14)0.0458 (6)
H7A0.70260.92100.27310.055*
H7B0.59290.88710.32790.055*
C80.7569 (2)0.80466 (17)0.33904 (13)0.0374 (5)
C90.7492 (3)0.77655 (17)0.42475 (13)0.0409 (6)
H90.65890.76030.43350.049*
C100.7791 (3)0.85947 (19)0.48245 (13)0.0442 (6)
C110.8226 (3)0.68305 (19)0.43928 (16)0.0528 (7)
H11A0.91250.69280.42750.063*
H11B0.81600.66640.49270.063*
C120.7710 (3)0.60034 (19)0.39164 (15)0.0522 (7)
H12A0.82360.54370.39990.063*
H12B0.68430.58530.40780.063*
C130.7706 (3)0.62489 (17)0.30752 (15)0.0423 (6)
H130.86000.63820.29390.051*
C140.6946 (2)0.71934 (18)0.29099 (13)0.0381 (5)
C150.6989 (3)0.7433 (2)0.20536 (14)0.0492 (6)
H15A0.64050.79610.19540.059*
H15B0.78470.76490.19250.059*
C160.6636 (3)0.6590 (2)0.15380 (15)0.0562 (7)
H16A0.57370.64320.16090.067*
H16B0.67570.67780.10120.067*
C170.7450 (3)0.5706 (2)0.17063 (17)0.0535 (7)
C180.7260 (3)0.54400 (19)0.25457 (16)0.0470 (6)
H180.63340.53710.26240.056*
C190.7840 (3)0.4424 (2)0.26183 (18)0.0545 (7)
H190.87700.44880.26810.065*
C200.7344 (4)0.3773 (2)0.3226 (2)0.0716 (9)
C210.7570 (3)0.3981 (2)0.1821 (2)0.0652 (9)
H21A0.83590.37360.16000.078*
H21B0.69650.34530.18640.078*
C220.7018 (4)0.4773 (2)0.1326 (2)0.0675 (9)
H22A0.60900.47340.13090.081*
H22B0.73500.47310.08120.081*
C230.5723 (4)1.0939 (3)0.5030 (2)0.0900 (13)
H23A0.56831.14490.53990.135*
H23B0.49461.05690.50500.135*
H23C0.58211.12100.45310.135*
C240.8075 (4)1.0926 (3)0.5249 (2)0.0847 (12)
H24A0.79531.14160.56280.127*
H24B0.82241.12230.47650.127*
H24C0.88011.05360.53840.127*
C250.9238 (3)0.8822 (2)0.48816 (17)0.0585 (8)
H25A0.97130.82310.49130.065 (10)*
H25B0.93960.92030.53280.083 (11)*
H25C0.95030.91750.44390.067 (10)*
C260.8966 (3)0.8209 (2)0.31324 (16)0.0496 (6)
H26A0.92840.87970.33490.060*
H26B0.89960.82510.25880.060*
H26C0.94880.76800.33000.060*
C270.5513 (2)0.7052 (2)0.31184 (17)0.0497 (6)
H27A0.51390.65820.27850.092 (13)*
H27B0.50670.76530.30650.113 (15)*
H27C0.54470.68330.36350.132 (18)*
C280.8859 (3)0.5890 (3)0.1495 (2)0.0676 (9)
H28A0.89170.60510.09660.101*
H28B0.93540.53200.15940.101*
H28C0.91870.64130.17940.101*
C290.6141 (4)0.3839 (3)0.3526 (2)0.0871 (12)
H29A0.58570.33790.38720.104*
H29B0.56040.43440.33850.104*
C300.8193 (6)0.3001 (4)0.3435 (4)0.152 (3)
H30A0.78010.26180.38260.228*
H30B0.89860.32630.36200.228*
H30C0.83590.26050.29990.228*
O310.6240 (4)1.0368 (2)0.65044 (15)0.1180 (13)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.091 (2)0.0597 (17)0.0383 (13)0.0092 (18)0.0077 (16)0.0056 (13)
C20.091 (2)0.078 (2)0.0371 (14)0.016 (2)0.0034 (16)0.0025 (15)
C30.091 (3)0.084 (2)0.0467 (17)0.006 (2)0.0053 (18)0.0194 (17)
C40.077 (2)0.0568 (17)0.0472 (15)0.0020 (16)0.0117 (15)0.0108 (13)
C50.0534 (15)0.0446 (13)0.0384 (12)0.0010 (12)0.0056 (11)0.0048 (11)
C60.0638 (18)0.0398 (13)0.0435 (13)0.0019 (12)0.0109 (13)0.0046 (11)
C70.0583 (16)0.0447 (13)0.0345 (12)0.0061 (13)0.0067 (12)0.0023 (11)
C80.0397 (13)0.0390 (12)0.0335 (11)0.0001 (10)0.0004 (10)0.0039 (9)
C90.0435 (14)0.0413 (13)0.0378 (12)0.0023 (11)0.0023 (11)0.0054 (10)
C100.0526 (15)0.0459 (13)0.0341 (12)0.0039 (12)0.0058 (11)0.0037 (11)
C110.0668 (19)0.0487 (15)0.0430 (13)0.0053 (14)0.0082 (13)0.0111 (12)
C120.0636 (17)0.0410 (14)0.0519 (15)0.0059 (13)0.0026 (14)0.0064 (12)
C130.0399 (13)0.0394 (12)0.0475 (13)0.0013 (11)0.0027 (11)0.0011 (11)
C140.0375 (12)0.0413 (12)0.0354 (11)0.0012 (10)0.0024 (10)0.0006 (10)
C150.0559 (16)0.0512 (14)0.0405 (13)0.0014 (13)0.0010 (12)0.0013 (12)
C160.0644 (19)0.0616 (17)0.0426 (13)0.0033 (15)0.0016 (14)0.0029 (13)
C170.0532 (17)0.0546 (15)0.0527 (15)0.0054 (13)0.0051 (13)0.0120 (13)
C180.0380 (13)0.0461 (14)0.0569 (15)0.0020 (12)0.0055 (12)0.0052 (12)
C190.0436 (14)0.0447 (14)0.0754 (19)0.0019 (12)0.0041 (14)0.0077 (14)
C200.081 (2)0.0440 (15)0.090 (2)0.0036 (16)0.003 (2)0.0008 (17)
C210.0516 (17)0.0534 (16)0.091 (2)0.0046 (14)0.0072 (17)0.0232 (17)
C220.070 (2)0.0643 (19)0.068 (2)0.0081 (17)0.0032 (17)0.0203 (16)
C230.109 (3)0.082 (2)0.078 (2)0.033 (2)0.019 (2)0.034 (2)
C240.104 (3)0.062 (2)0.088 (2)0.019 (2)0.013 (2)0.0160 (19)
C250.0570 (17)0.0626 (18)0.0558 (17)0.0038 (15)0.0185 (14)0.0008 (15)
C260.0464 (15)0.0529 (15)0.0494 (14)0.0064 (12)0.0037 (12)0.0021 (13)
C270.0399 (14)0.0540 (15)0.0552 (16)0.0007 (13)0.0020 (12)0.0062 (13)
C280.065 (2)0.069 (2)0.0693 (19)0.0067 (17)0.0226 (17)0.0152 (17)
C290.081 (3)0.068 (2)0.112 (3)0.016 (2)0.021 (2)0.016 (2)
C300.129 (5)0.127 (4)0.200 (6)0.037 (4)0.024 (5)0.082 (5)
O310.185 (4)0.110 (2)0.0581 (15)0.019 (2)0.0121 (19)0.0290 (16)
Geometric parameters (Å, º) top
C1—C21.322 (5)C16—H16A0.97
C1—C101.495 (4)C16—H16B0.97
C1—H10.93C17—C221.524 (4)
C2—C31.449 (5)C17—C181.535 (4)
C2—H20.93C17—C281.536 (4)
C3—O311.202 (4)C18—C191.539 (4)
C3—C41.526 (5)C18—H180.98
C4—C231.526 (5)C19—C201.493 (5)
C4—C241.543 (5)C19—C211.558 (4)
C4—C51.543 (4)C19—H190.98
C5—C61.522 (4)C20—C291.363 (6)
C5—C101.549 (4)C20—C301.438 (6)
C5—H50.98C21—C221.515 (5)
C6—C71.529 (4)C21—H21A0.97
C6—H6A0.97C21—H21B0.97
C6—H6B0.97C22—H22A0.97
C7—C81.537 (3)C22—H22B0.97
C7—H7A0.97C23—H23A0.96
C7—H7B0.97C23—H23B0.96
C8—C261.541 (4)C23—H23C0.96
C8—C91.560 (3)C24—H24A0.96
C8—C141.593 (3)C24—H24B0.96
C9—C111.528 (4)C24—H24C0.96
C9—C101.566 (3)C25—H25A0.96
C9—H90.98C25—H25B0.96
C10—C251.543 (4)C25—H25C0.96
C11—C121.519 (4)C26—H26A0.96
C11—H11A0.97C26—H26B0.96
C11—H11B0.97C26—H26C0.96
C12—C131.518 (4)C27—H27A0.96
C12—H12A0.97C27—H27B0.96
C12—H12B0.97C27—H27C0.96
C13—C181.531 (4)C28—H28A0.96
C13—C141.559 (3)C28—H28B0.96
C13—H130.98C28—H28C0.96
C14—C151.543 (3)C29—H29A0.93
C14—C271.550 (4)C29—H29B0.93
C15—C161.525 (4)C30—H30A0.96
C15—H15A0.97C30—H30B0.96
C15—H15B0.97C30—H30C0.96
C16—C171.521 (4)
C2—C1—C10123.9 (3)C15—C16—H16A109.3
C2—C1—H1118.0C17—C16—H16B109.3
C10—C1—H1118.0C15—C16—H16B109.3
C1—C2—C3124.3 (3)H16A—C16—H16B108.0
C1—C2—H2117.8C16—C17—C22115.8 (3)
C3—C2—H2117.8C16—C17—C18108.0 (2)
O31—C3—C2120.8 (3)C22—C17—C18100.4 (2)
O31—C3—C4120.9 (4)C16—C17—C28110.6 (3)
C2—C3—C4118.3 (3)C22—C17—C28108.5 (3)
C23—C4—C3106.1 (3)C18—C17—C28113.3 (3)
C23—C4—C24107.9 (3)C13—C18—C17111.7 (2)
C3—C4—C24108.2 (3)C13—C18—C19120.1 (2)
C23—C4—C5109.8 (3)C17—C18—C19104.4 (2)
C3—C4—C5109.8 (3)C13—C18—H18106.6
C24—C4—C5114.7 (3)C17—C18—H18106.6
C6—C5—C4114.9 (2)C19—C18—H18106.6
C6—C5—C10110.7 (2)C20—C19—C18118.6 (3)
C4—C5—C10116.4 (2)C20—C19—C21110.1 (2)
C6—C5—H5104.4C18—C19—C21102.5 (2)
C4—C5—H5104.4C20—C19—H19108.4
C10—C5—H5104.4C18—C19—H19108.4
C5—C6—C7110.0 (2)C21—C19—H19108.4
C5—C6—H6A109.7C29—C20—C30121.1 (4)
C7—C6—H6A109.7C29—C20—C19123.7 (3)
C5—C6—H6B109.7C30—C20—C19114.9 (4)
C7—C6—H6B109.7C22—C21—C19107.4 (2)
H6A—C6—H6B108.2C22—C21—H21A110.2
C6—C7—C8113.3 (2)C19—C21—H21A110.2
C6—C7—H7A108.9C22—C21—H21B110.2
C8—C7—H7A108.9C19—C21—H21B110.2
C6—C7—H7B108.9H21A—C21—H21B108.5
C8—C7—H7B108.9C21—C22—C17104.6 (3)
H7A—C7—H7B107.7C21—C22—H22A110.8
C7—C8—C26106.9 (2)C17—C22—H22A110.8
C7—C8—C9110.5 (2)C21—C22—H22B110.8
C26—C8—C9111.7 (2)C17—C22—H22B110.8
C7—C8—C14110.25 (19)H22A—C22—H22B108.9
C26—C8—C14109.7 (2)C4—C23—H23A109.5
C9—C8—C14107.81 (18)C4—C23—H23B109.5
C11—C9—C8110.4 (2)H23A—C23—H23B109.5
C11—C9—C10114.6 (2)C4—C23—H23C109.5
C8—C9—C10115.63 (19)H23A—C23—H23C109.5
C11—C9—H9105.0H23B—C23—H23C109.5
C8—C9—H9105.0C4—C24—H24A109.5
C10—C9—H9105.0C4—C24—H24B109.5
C1—C10—C25105.8 (2)H24A—C24—H24B109.5
C1—C10—C5106.9 (2)C4—C24—H24C109.5
C25—C10—C5114.6 (2)H24A—C24—H24C109.5
C1—C10—C9108.6 (2)H24B—C24—H24C109.5
C25—C10—C9112.8 (2)C10—C25—H25A109.5
C5—C10—C9107.82 (19)C10—C25—H25B109.5
C12—C11—C9111.9 (2)H25A—C25—H25B109.5
C12—C11—H11A109.2C10—C25—H25C109.5
C9—C11—H11A109.2H25A—C25—H25C109.5
C12—C11—H11B109.2H25B—C25—H25C109.5
C9—C11—H11B109.2C8—C26—H26A109.5
H11A—C11—H11B107.9C8—C26—H26B109.5
C13—C12—C11111.7 (2)H26A—C26—H26B109.5
C13—C12—H12A109.3C8—C26—H26C109.5
C11—C12—H12A109.3H26A—C26—H26C109.5
C13—C12—H12B109.3H26B—C26—H26C109.5
C11—C12—H12B109.3C14—C27—H27A109.5
H12A—C12—H12B108.0C14—C27—H27B109.5
C12—C13—C18115.4 (2)H27A—C27—H27B109.5
C12—C13—C14111.8 (2)C14—C27—H27C109.5
C18—C13—C14110.4 (2)H27A—C27—H27C109.5
C12—C13—H13106.2H27B—C27—H27C109.5
C18—C13—H13106.2C17—C28—H28A109.5
C14—C13—H13106.2C17—C28—H28B109.5
C15—C14—C27106.6 (2)H28A—C28—H28B109.5
C15—C14—C13110.4 (2)C17—C28—H28C109.5
C27—C14—C13109.8 (2)H28A—C28—H28C109.5
C15—C14—C8110.2 (2)H28B—C28—H28C109.5
C27—C14—C8111.2 (2)C20—C29—H29A120.0
C13—C14—C8108.61 (18)C20—C29—H29B120.0
C16—C15—C14114.1 (2)H29A—C29—H29B120.0
C16—C15—H15A108.7C20—C30—H30A109.5
C14—C15—H15A108.7C20—C30—H30B109.5
C16—C15—H15B108.7H30A—C30—H30B109.5
C14—C15—H15B108.7C20—C30—H30C109.5
H15A—C15—H15B107.6H30A—C30—H30C109.5
C17—C16—C15111.6 (2)H30B—C30—H30C109.5
C17—C16—H16A109.3
C10—C1—C2—C30.1 (6)C12—C13—C14—C15178.7 (2)
C1—C2—C3—O31173.7 (4)C18—C13—C14—C1551.3 (3)
C1—C2—C3—C45.0 (6)C12—C13—C14—C2764.1 (3)
O31—C3—C4—C2344.5 (5)C18—C13—C14—C2765.9 (3)
C2—C3—C4—C23136.8 (4)C12—C13—C14—C857.7 (3)
O31—C3—C4—C2471.1 (5)C18—C13—C14—C8172.30 (19)
C2—C3—C4—C24107.6 (4)C7—C8—C14—C1559.1 (3)
O31—C3—C4—C5163.1 (4)C26—C8—C14—C1558.4 (3)
C2—C3—C4—C518.2 (5)C9—C8—C14—C15179.8 (2)
C23—C4—C5—C664.4 (4)C7—C8—C14—C2759.0 (3)
C3—C4—C5—C6179.3 (3)C26—C8—C14—C27176.4 (2)
C24—C4—C5—C657.3 (4)C9—C8—C14—C2761.7 (3)
C23—C4—C5—C10163.8 (3)C7—C8—C14—C13179.9 (2)
C3—C4—C5—C1047.5 (4)C26—C8—C14—C1362.7 (2)
C24—C4—C5—C1074.5 (3)C9—C8—C14—C1359.2 (2)
C4—C5—C6—C7162.5 (3)C27—C14—C15—C1669.5 (3)
C10—C5—C6—C763.0 (3)C13—C14—C15—C1649.7 (3)
C5—C6—C7—C857.9 (3)C8—C14—C15—C16169.7 (2)
C6—C7—C8—C2672.7 (3)C14—C15—C16—C1754.1 (4)
C6—C7—C8—C949.0 (3)C15—C16—C17—C22169.4 (3)
C6—C7—C8—C14168.1 (2)C15—C16—C17—C1857.8 (3)
C7—C8—C9—C11179.4 (2)C15—C16—C17—C2866.7 (3)
C26—C8—C9—C1160.6 (3)C12—C13—C18—C17172.7 (2)
C14—C8—C9—C1160.1 (3)C14—C13—C18—C1759.2 (3)
C7—C8—C9—C1047.3 (3)C12—C13—C18—C1949.9 (3)
C26—C8—C9—C1071.6 (3)C14—C13—C18—C19178.0 (2)
C14—C8—C9—C10167.8 (2)C16—C17—C18—C1361.7 (3)
C2—C1—C10—C2595.8 (4)C22—C17—C18—C13176.6 (3)
C2—C1—C10—C526.8 (4)C28—C17—C18—C1361.2 (3)
C2—C1—C10—C9142.9 (3)C16—C17—C18—C19166.9 (2)
C6—C5—C10—C1175.4 (2)C22—C17—C18—C1945.3 (3)
C4—C5—C10—C150.9 (3)C28—C17—C18—C1970.2 (3)
C6—C5—C10—C2567.7 (3)C13—C18—C19—C2080.4 (4)
C4—C5—C10—C2566.0 (3)C17—C18—C19—C20153.4 (3)
C6—C5—C10—C958.7 (3)C13—C18—C19—C21158.2 (2)
C4—C5—C10—C9167.6 (2)C17—C18—C19—C2131.9 (3)
C11—C9—C10—C162.5 (3)C18—C19—C20—C2926.2 (5)
C8—C9—C10—C1167.4 (2)C21—C19—C20—C2991.3 (4)
C11—C9—C10—C2554.5 (3)C18—C19—C20—C30159.2 (4)
C8—C9—C10—C2575.6 (3)C21—C19—C20—C3083.3 (5)
C11—C9—C10—C5178.0 (2)C20—C19—C21—C22133.5 (3)
C8—C9—C10—C551.9 (3)C18—C19—C21—C226.4 (3)
C8—C9—C11—C1258.4 (3)C19—C21—C22—C1721.5 (3)
C10—C9—C11—C12168.9 (2)C16—C17—C22—C21156.5 (3)
C9—C11—C12—C1355.1 (3)C18—C17—C22—C2140.6 (3)
C11—C12—C13—C18177.3 (2)C28—C17—C22—C2178.5 (3)
C11—C12—C13—C1455.4 (3)
 

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