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The title compound, C30H48O, is a tirucallane triterpenoid which was isolated from the medicinal plant Vismia laurentii. The mol­ecule contains four fused rings, typical of steroids. Ring A adopts a chair conformation, ring B a sofa conformation, ring C a twist conformation and ring D an envelope conformation. The A/B and C/D ring junctions are both trans.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807012949/bt2297sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807012949/bt2297Isup2.hkl
Contains datablock I

CCDC reference: 642932

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.045
  • wR factor = 0.115
  • Data-to-parameter ratio = 12.1

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 = 3 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.85 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.52 Ratio PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C30
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 27.47 From the CIF: _reflns_number_total 3399 Count of symmetry unique reflns 3412 Completeness (_total/calc) 99.62% 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 PLAT791_ALERT_1_G Confirm the Absolute Configuration of C7 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C8 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C13 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C16 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C18 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C22 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C23 = . S
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 8 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: COLLECT (Nonius, 1998); cell refinement: DENZO (Nonius, 1998); data reduction: DENZO; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON98 (Spek, 2003); software used to prepare material for publication: SHELXL97.

Tirucalla-7,24-dien-3-one top
Crystal data top
C30H48OF(000) = 944
Mr = 424.68Dx = 1.083 Mg m3
Orthorhombic, P212121Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2abCell parameters from 3227 reflections
a = 6.7680 (1) Åθ = 1.0–27.5°
b = 12.7540 (2) ŵ = 0.06 mm1
c = 30.1830 (6) ÅT = 173 K
V = 2605.37 (8) Å3Prism, colorless
Z = 40.20 × 0.15 × 0.12 mm
Data collection top
Nonius KappaCCD
diffractometer
2670 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.028
Graphite monochromatorθmax = 27.5°, θmin = 1.7°
φ scansh = 88
5890 measured reflectionsk = 1616
3399 independent reflectionsl = 3838
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)] = 0.045Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.115H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0734P)2]
where P = (Fo2 + 2Fc2)/3
3399 reflections(Δ/σ)max < 0.001
280 parametersΔρmax = 0.15 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
O10.7785 (2)0.29555 (15)0.16797 (5)0.0506 (5)
C120.1580 (3)0.17891 (14)0.31415 (6)0.0239 (4)
C130.3435 (3)0.24659 (14)0.31401 (6)0.0243 (4)
H130.45780.19710.31590.029*
C200.0504 (3)0.05536 (16)0.36451 (6)0.0291 (5)
H20A0.01720.00240.34870.035*
H20B0.18680.06180.35300.035*
C10.4446 (3)0.24536 (15)0.18556 (6)0.0283 (4)
C220.0974 (3)0.11418 (16)0.43638 (5)0.0256 (4)
H220.01980.17650.44650.031*
C230.2019 (3)0.06832 (17)0.47746 (6)0.0301 (5)
H230.27340.00330.46830.036*
C140.3549 (3)0.31636 (16)0.35534 (6)0.0305 (5)
H14A0.24950.37000.35360.037*
H14B0.48340.35350.35530.037*
C80.3638 (3)0.21780 (15)0.23298 (6)0.0255 (4)
H80.45550.16270.24450.031*
C70.3661 (3)0.30600 (15)0.26884 (6)0.0262 (4)
C210.0511 (3)0.03584 (17)0.41522 (6)0.0328 (5)
H21A0.01090.03720.42170.039*
H21B0.18520.04730.42740.039*
C160.2239 (3)0.14973 (15)0.39596 (6)0.0248 (4)
C100.1606 (3)0.16483 (16)0.23128 (6)0.0301 (5)
H10A0.06720.21080.21520.036*
H10B0.17150.09820.21460.036*
C20.3008 (3)0.3077 (2)0.15579 (6)0.0381 (5)
H2A0.35440.31180.12570.057*
H2B0.28430.37860.16770.057*
H2C0.17240.27220.15510.057*
C190.0865 (3)0.24791 (17)0.36846 (6)0.0330 (5)
H19A0.01690.31530.36890.050*
H19B0.14950.23610.39730.050*
H19C0.18760.24890.34520.050*
C240.3512 (4)0.14361 (19)0.49776 (6)0.0419 (6)
H24A0.45360.16000.47590.063*
H24B0.41210.11090.52380.063*
H24C0.28400.20830.50670.063*
C180.0628 (3)0.15859 (15)0.35906 (6)0.0242 (4)
C40.6311 (3)0.31243 (17)0.18966 (6)0.0319 (5)
C170.3708 (3)0.06168 (16)0.38497 (6)0.0285 (4)
H17A0.43310.07600.35630.043*
H17B0.30050.00540.38360.043*
H17C0.47250.05830.40800.043*
C250.0439 (3)0.03770 (18)0.51212 (6)0.0367 (5)
H25A0.03600.10060.51900.044*
H25B0.04550.01480.49870.044*
C270.2530 (4)0.10142 (18)0.54910 (6)0.0393 (6)
H270.20250.15340.52960.047*
C150.3331 (3)0.25593 (16)0.39992 (6)0.0298 (5)
H15A0.46650.24320.41230.036*
H15B0.26070.30090.42120.036*
C90.2009 (3)0.38681 (17)0.26318 (6)0.0348 (5)
H9A0.21150.44010.28640.052*
H9B0.07240.35170.26540.052*
H9C0.21290.42030.23410.052*
C30.4964 (4)0.14336 (18)0.16151 (6)0.0389 (5)
H3A0.56810.15960.13410.058*
H3B0.37470.10530.15430.058*
H3C0.57960.09980.18070.058*
C50.6237 (4)0.40168 (18)0.22201 (6)0.0376 (5)
H5A0.52470.45390.21220.045*
H5B0.75420.43670.22330.045*
C110.0798 (3)0.14258 (15)0.27674 (6)0.0280 (4)
H110.03470.09980.27890.034*
C60.5684 (3)0.36019 (17)0.26803 (6)0.0330 (5)
H6A0.56730.41930.28930.040*
H6B0.67060.30980.27790.040*
C260.1247 (3)0.00731 (19)0.55573 (6)0.0382 (5)
H26A0.20190.04770.57110.046*
H26B0.01240.02670.57510.046*
C280.4275 (4)0.12194 (19)0.56679 (6)0.0409 (6)
C300.5289 (4)0.0526 (2)0.60020 (9)0.0602 (7)
H30A0.44720.00940.60580.090*
H30B0.65770.03070.58860.090*
H30C0.54760.09140.62790.090*
C290.5415 (5)0.2195 (2)0.55553 (9)0.0682 (9)
H29A0.47400.25720.53160.102*
H29B0.55000.26460.58180.102*
H29C0.67490.20030.54590.102*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O10.0342 (9)0.0670 (12)0.0505 (10)0.0023 (9)0.0095 (7)0.0005 (9)
C120.0224 (9)0.0240 (9)0.0253 (9)0.0001 (8)0.0005 (8)0.0015 (7)
C130.0244 (10)0.0249 (9)0.0235 (9)0.0017 (8)0.0005 (8)0.0017 (8)
C200.0247 (10)0.0355 (11)0.0271 (10)0.0053 (9)0.0027 (8)0.0010 (8)
C10.0284 (10)0.0345 (11)0.0218 (9)0.0027 (9)0.0022 (8)0.0033 (8)
C220.0235 (10)0.0293 (10)0.0241 (9)0.0000 (9)0.0010 (7)0.0008 (8)
C230.0283 (11)0.0367 (12)0.0252 (10)0.0011 (10)0.0005 (8)0.0009 (8)
C140.0352 (11)0.0300 (11)0.0264 (10)0.0085 (10)0.0010 (9)0.0022 (8)
C80.0260 (10)0.0274 (10)0.0231 (9)0.0009 (9)0.0001 (8)0.0005 (8)
C70.0277 (10)0.0277 (10)0.0232 (9)0.0016 (9)0.0006 (8)0.0013 (8)
C210.0264 (10)0.0410 (13)0.0311 (10)0.0063 (10)0.0011 (9)0.0056 (9)
C160.0241 (10)0.0276 (11)0.0226 (9)0.0008 (9)0.0005 (8)0.0008 (8)
C100.0332 (11)0.0344 (11)0.0226 (9)0.0061 (10)0.0027 (8)0.0028 (8)
C20.0368 (12)0.0480 (14)0.0295 (11)0.0041 (11)0.0024 (9)0.0071 (10)
C190.0297 (11)0.0381 (12)0.0312 (10)0.0084 (10)0.0017 (8)0.0008 (9)
C240.0439 (13)0.0531 (14)0.0288 (11)0.0102 (13)0.0077 (9)0.0033 (10)
C180.0220 (9)0.0257 (10)0.0249 (9)0.0009 (8)0.0002 (8)0.0012 (7)
C40.0293 (11)0.0394 (12)0.0270 (10)0.0008 (10)0.0008 (9)0.0100 (9)
C170.0235 (10)0.0340 (11)0.0280 (10)0.0027 (9)0.0009 (8)0.0006 (8)
C250.0341 (12)0.0475 (13)0.0285 (10)0.0029 (11)0.0039 (9)0.0062 (9)
C270.0550 (15)0.0335 (12)0.0292 (11)0.0028 (11)0.0042 (10)0.0002 (9)
C150.0323 (11)0.0345 (11)0.0227 (9)0.0048 (10)0.0006 (8)0.0039 (8)
C90.0404 (13)0.0295 (11)0.0344 (11)0.0068 (10)0.0023 (9)0.0009 (9)
C30.0450 (13)0.0426 (13)0.0291 (10)0.0014 (12)0.0070 (9)0.0036 (9)
C50.0398 (13)0.0412 (13)0.0318 (11)0.0118 (11)0.0016 (9)0.0066 (9)
C110.0270 (10)0.0294 (11)0.0275 (10)0.0039 (9)0.0007 (8)0.0002 (8)
C60.0355 (12)0.0360 (12)0.0275 (10)0.0091 (10)0.0003 (8)0.0017 (9)
C260.0386 (13)0.0495 (13)0.0265 (10)0.0029 (12)0.0029 (9)0.0052 (9)
C280.0503 (15)0.0356 (12)0.0366 (12)0.0074 (12)0.0054 (10)0.0028 (9)
C300.0461 (15)0.0508 (16)0.0837 (18)0.0040 (14)0.0177 (14)0.0051 (14)
C290.093 (2)0.0561 (17)0.0553 (15)0.0330 (19)0.0010 (16)0.0024 (13)
Geometric parameters (Å, º) top
O1—C41.212 (2)C19—C181.549 (3)
C12—C111.330 (3)C19—H19A0.9800
C12—C181.523 (2)C19—H19B0.9800
C12—C131.524 (3)C19—H19C0.9800
C13—C141.534 (3)C24—H24A0.9800
C13—C71.567 (2)C24—H24B0.9800
C13—H131.0000C24—H24C0.9800
C20—C181.532 (3)C4—C51.500 (3)
C20—C211.551 (3)C17—H17A0.9800
C20—H20A0.9900C17—H17B0.9800
C20—H20B0.9900C17—H17C0.9800
C1—C41.530 (3)C25—C261.537 (3)
C1—C31.531 (3)C25—H25A0.9900
C1—C21.545 (3)C25—H25B0.9900
C1—C81.572 (3)C27—C281.322 (3)
C22—C231.543 (3)C27—C261.495 (3)
C22—C211.554 (3)C27—H270.9500
C22—C161.558 (2)C15—H15A0.9900
C22—H221.0000C15—H15B0.9900
C23—C241.523 (3)C9—H9A0.9800
C23—C251.546 (3)C9—H9B0.9800
C23—H231.0000C9—H9C0.9800
C14—C151.558 (3)C3—H3A0.9800
C14—H14A0.9900C3—H3B0.9800
C14—H14B0.9900C3—H3C0.9800
C8—C101.533 (3)C5—C61.533 (3)
C8—C71.561 (3)C5—H5A0.9900
C8—H81.0000C5—H5B0.9900
C7—C91.530 (3)C11—H110.9500
C7—C61.534 (3)C6—H6A0.9900
C21—H21A0.9900C6—H6B0.9900
C21—H21B0.9900C26—H26A0.9900
C16—C171.536 (3)C26—H26B0.9900
C16—C151.548 (3)C28—C291.503 (3)
C16—C181.563 (3)C28—C301.506 (4)
C10—C111.504 (3)C30—H30A0.9800
C10—H10A0.9900C30—H30B0.9800
C10—H10B0.9900C30—H30C0.9800
C2—H2A0.9800C29—H29A0.9800
C2—H2B0.9800C29—H29B0.9800
C2—H2C0.9800C29—H29C0.9800
C11—C12—C18121.86 (17)H24A—C24—H24B109.5
C11—C12—C13121.52 (16)C23—C24—H24C109.5
C18—C12—C13116.58 (15)H24A—C24—H24C109.5
C12—C13—C14111.58 (15)H24B—C24—H24C109.5
C12—C13—C7110.89 (14)C12—C18—C20116.96 (15)
C14—C13—C7114.97 (15)C12—C18—C19108.30 (15)
C12—C13—H13106.3C20—C18—C19106.63 (15)
C14—C13—H13106.3C12—C18—C16110.57 (15)
C7—C13—H13106.3C20—C18—C16102.13 (14)
C18—C20—C21104.21 (15)C19—C18—C16112.19 (15)
C18—C20—H20A110.9O1—C4—C5120.9 (2)
C21—C20—H20A110.9O1—C4—C1122.41 (19)
C18—C20—H20B110.9C5—C4—C1116.70 (17)
C21—C20—H20B110.9C16—C17—H17A109.5
H20A—C20—H20B108.9C16—C17—H17B109.5
C4—C1—C3108.94 (17)H17A—C17—H17B109.5
C4—C1—C2106.22 (16)C16—C17—H17C109.5
C3—C1—C2107.81 (17)H17A—C17—H17C109.5
C4—C1—C8109.77 (15)H17B—C17—H17C109.5
C3—C1—C8108.75 (16)C26—C25—C23115.35 (18)
C2—C1—C8115.18 (16)C26—C25—H25A108.4
C23—C22—C21112.52 (16)C23—C25—H25A108.4
C23—C22—C16119.18 (16)C26—C25—H25B108.4
C21—C22—C16102.75 (14)C23—C25—H25B108.4
C23—C22—H22107.3H25A—C25—H25B107.5
C21—C22—H22107.3C28—C27—C26128.6 (2)
C16—C22—H22107.3C28—C27—H27115.7
C24—C23—C22112.86 (16)C26—C27—H27115.7
C24—C23—C25110.24 (15)C16—C15—C14114.31 (15)
C22—C23—C25108.83 (16)C16—C15—H15A108.7
C24—C23—H23108.3C14—C15—H15A108.7
C22—C23—H23108.3C16—C15—H15B108.7
C25—C23—H23108.3C14—C15—H15B108.7
C13—C14—C15114.25 (16)H15A—C15—H15B107.6
C13—C14—H14A108.7C7—C9—H9A109.5
C15—C14—H14A108.7C7—C9—H9B109.5
C13—C14—H14B108.7H9A—C9—H9B109.5
C15—C14—H14B108.7C7—C9—H9C109.5
H14A—C14—H14B107.6H9A—C9—H9C109.5
C10—C8—C7110.46 (15)H9B—C9—H9C109.5
C10—C8—C1112.34 (15)C1—C3—H3A109.5
C7—C8—C1117.82 (16)C1—C3—H3B109.5
C10—C8—H8105.0H3A—C3—H3B109.5
C7—C8—H8105.0C1—C3—H3C109.5
C1—C8—H8105.0H3A—C3—H3C109.5
C9—C7—C6110.31 (16)H3B—C3—H3C109.5
C9—C7—C8113.61 (15)C4—C5—C6109.63 (17)
C6—C7—C8108.81 (16)C4—C5—H5A109.7
C9—C7—C13110.58 (15)C6—C5—H5A109.7
C6—C7—C13108.58 (15)C4—C5—H5B109.7
C8—C7—C13104.71 (15)C6—C5—H5B109.7
C20—C21—C22107.48 (16)H5A—C5—H5B108.2
C20—C21—H21A110.2C12—C11—C10124.33 (18)
C22—C21—H21A110.2C12—C11—H11117.8
C20—C21—H21B110.2C10—C11—H11117.8
C22—C21—H21B110.2C5—C6—C7112.82 (16)
H21A—C21—H21B108.5C5—C6—H6A109.0
C17—C16—C15110.34 (15)C7—C6—H6A109.0
C17—C16—C22108.20 (15)C5—C6—H6B109.0
C15—C16—C22117.18 (15)C7—C6—H6B109.0
C17—C16—C18110.51 (14)H6A—C6—H6B107.8
C15—C16—C18108.96 (15)C27—C26—C25113.08 (17)
C22—C16—C18101.26 (14)C27—C26—H26A109.0
C11—C10—C8112.26 (15)C25—C26—H26A109.0
C11—C10—H10A109.2C27—C26—H26B109.0
C8—C10—H10A109.2C25—C26—H26B109.0
C11—C10—H10B109.2H26A—C26—H26B107.8
C8—C10—H10B109.2C27—C28—C29122.1 (2)
H10A—C10—H10B107.9C27—C28—C30124.1 (2)
C1—C2—H2A109.5C29—C28—C30113.8 (2)
C1—C2—H2B109.5C28—C30—H30A109.5
H2A—C2—H2B109.5C28—C30—H30B109.5
C1—C2—H2C109.5H30A—C30—H30B109.5
H2A—C2—H2C109.5C28—C30—H30C109.5
H2B—C2—H2C109.5H30A—C30—H30C109.5
C18—C19—H19A109.5H30B—C30—H30C109.5
C18—C19—H19B109.5C28—C29—H29A109.5
H19A—C19—H19B109.5C28—C29—H29B109.5
C18—C19—H19C109.5H29A—C29—H29B109.5
H19A—C19—H19C109.5C28—C29—H29C109.5
H19B—C19—H19C109.5H29A—C29—H29C109.5
C23—C24—H24A109.5H29B—C29—H29C109.5
C23—C24—H24B109.5
C11—C12—C13—C14155.24 (19)C11—C12—C18—C1989.0 (2)
C18—C12—C13—C1422.5 (2)C13—C12—C18—C1988.71 (19)
C11—C12—C13—C725.7 (2)C11—C12—C18—C16147.66 (19)
C18—C12—C13—C7152.07 (16)C13—C12—C18—C1634.6 (2)
C21—C22—C23—C24178.64 (17)C21—C20—C18—C12157.07 (17)
C16—C22—C23—C2458.3 (2)C21—C20—C18—C1981.63 (17)
C21—C22—C23—C2558.6 (2)C21—C20—C18—C1636.24 (18)
C16—C22—C23—C25178.99 (17)C17—C16—C18—C1258.0 (2)
C12—C13—C14—C1552.9 (2)C15—C16—C18—C1263.41 (19)
C7—C13—C14—C15179.75 (17)C22—C16—C18—C12172.48 (15)
C4—C1—C8—C10171.42 (16)C17—C16—C18—C2067.18 (17)
C3—C1—C8—C1069.5 (2)C15—C16—C18—C20171.43 (14)
C2—C1—C8—C1051.6 (2)C22—C16—C18—C2047.31 (17)
C4—C1—C8—C741.3 (2)C17—C16—C18—C19179.00 (15)
C3—C1—C8—C7160.41 (17)C15—C16—C18—C1957.60 (19)
C2—C1—C8—C778.5 (2)C22—C16—C18—C1966.51 (19)
C10—C8—C7—C954.2 (2)C3—C1—C4—O115.5 (3)
C1—C8—C7—C976.8 (2)C2—C1—C4—O1100.4 (2)
C10—C8—C7—C6177.47 (15)C8—C1—C4—O1134.5 (2)
C1—C8—C7—C646.5 (2)C3—C1—C4—C5164.75 (17)
C10—C8—C7—C1366.59 (18)C2—C1—C4—C579.4 (2)
C1—C8—C7—C13162.45 (16)C8—C1—C4—C545.8 (2)
C12—C13—C7—C966.72 (19)C24—C23—C25—C2654.4 (2)
C14—C13—C7—C961.0 (2)C22—C23—C25—C26178.70 (17)
C12—C13—C7—C6172.13 (15)C17—C16—C15—C1488.0 (2)
C14—C13—C7—C660.1 (2)C22—C16—C15—C14147.59 (17)
C12—C13—C7—C856.02 (19)C18—C16—C15—C1433.5 (2)
C14—C13—C7—C8176.25 (16)C13—C14—C15—C1623.3 (2)
C18—C20—C21—C2211.8 (2)O1—C4—C5—C6124.4 (2)
C23—C22—C21—C20146.86 (17)C1—C4—C5—C655.9 (2)
C16—C22—C21—C2017.4 (2)C18—C12—C11—C10176.57 (18)
C23—C22—C16—C1748.2 (2)C13—C12—C11—C101.1 (3)
C21—C22—C16—C1776.94 (18)C8—C10—C11—C1210.1 (3)
C23—C22—C16—C1577.2 (2)C4—C5—C6—C760.2 (2)
C21—C22—C16—C15157.60 (16)C9—C7—C6—C570.4 (2)
C23—C22—C16—C18164.44 (16)C8—C7—C6—C554.9 (2)
C21—C22—C16—C1839.26 (18)C13—C7—C6—C5168.28 (17)
C7—C8—C10—C1143.8 (2)C28—C27—C26—C25133.3 (2)
C1—C8—C10—C11177.62 (16)C23—C25—C26—C2756.6 (3)
C11—C12—C18—C2031.4 (3)C26—C27—C28—C29178.0 (2)
C13—C12—C18—C20150.86 (16)C26—C27—C28—C303.1 (4)
 

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