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The title compound, C27H40O5, obtained through a four-step synthesis starting from diosgenin, has an oxirane ring fused with ring A of the steroid nucleus. As a consequence, ring A adopts an envelope conformation.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804013467/hg6053sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804013467/hg6053Isup2.hkl
Contains datablock I

CCDC reference: 187184

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.042
  • wR factor = 0.114
  • Data-to-parameter ratio = 7.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) ..... 7.79 PLAT338_ALERT_2_C Small Average Tau in cyclohexane C1 -C10 31.85 Deg. PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5
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 25.00 From the CIF: _reflns_number_total 2282 Count of symmetry unique reflns 2283 Completeness (_total/calc) 99.96% 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 3 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 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 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: XSCANS (Siemens, 1996); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXTL-Plus (Sheldrick, 1998); program(s) used to refine structure: SHELXTL-Plus; molecular graphics: SHELXTL-Plus; software used to prepare material for publication: SHELXTL-Plus.

(25R)-1α,2α-epoxy-3α-hydroxy-5α-spirostan-6-one top
Crystal data top
C27H40O5F(000) = 484
Mr = 444.59Dx = 1.229 Mg m3
Monoclinic, P21Melting point: 531 K
Hall symbol: P 2ybMo Kα radiation, λ = 0.71073 Å
a = 10.9714 (9) ÅCell parameters from 71 reflections
b = 7.7711 (8) Åθ = 3.8–12.0°
c = 14.3786 (11) ŵ = 0.08 mm1
β = 101.464 (4)°T = 298 K
V = 1201.46 (18) Å3Plate, colorless
Z = 20.60 × 0.18 × 0.08 mm
Data collection top
Bruker P4
diffractometer
Rint = 0.035
Radiation source: fine-focus sealed tube, FN4θmax = 25.0°, θmin = 1.9°
Graphite monochromatorh = 139
ω scansk = 91
4919 measured reflectionsl = 1617
2282 independent reflections2 standard reflections every 48 reflections
1591 reflections with I > 2σ(I) intensity decay: 1.5%
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: See text
R[F2 > 2σ(F2)] = 0.042H-atom parameters constrained
wR(F2) = 0.114 w = 1/[σ2(Fo2) + (0.0538P)2 + 0.0998P]
where P = (Fo2 + 2Fc2)/3
S = 1.06(Δ/σ)max < 0.001
2282 reflectionsΔρmax = 0.16 e Å3
293 parametersΔρmin = 0.17 e Å3
1 restraintExtinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.012 (2)
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
C10.5618 (3)0.4207 (5)0.8185 (2)0.0466 (9)
H1A0.57890.52010.78110.056*
C20.6153 (3)0.4275 (6)0.9204 (2)0.0477 (9)
H2A0.66280.53160.94240.057*
C30.6527 (4)0.2683 (6)0.9783 (2)0.0521 (10)
H3A0.74160.27831.00580.063*
C40.6344 (3)0.1024 (5)0.9223 (2)0.0477 (10)
H4A0.62060.00970.96420.057*
H4B0.71000.07660.89970.057*
C50.5259 (3)0.1080 (5)0.8377 (2)0.0389 (8)
H5A0.45080.13270.86250.047*
C60.5034 (3)0.0575 (5)0.7827 (2)0.0431 (9)
C70.3852 (3)0.0599 (5)0.7079 (2)0.0488 (9)
H7A0.31380.05010.73790.059*
H7B0.37890.16810.67360.059*
C80.3856 (3)0.0911 (5)0.6379 (2)0.0397 (9)
H8A0.45180.06960.60250.048*
C90.4148 (3)0.2619 (5)0.6916 (2)0.0393 (8)
H9A0.34890.27870.72780.047*
C100.5392 (3)0.2529 (5)0.7658 (2)0.0389 (8)
C110.4079 (4)0.4172 (6)0.6243 (2)0.0517 (10)
H11A0.41590.52210.66160.062*
H11B0.47740.41220.59200.062*
C120.2865 (3)0.4245 (6)0.5501 (2)0.0507 (10)
H12A0.21750.44560.58160.061*
H12B0.29040.51910.50680.061*
C130.2643 (3)0.2577 (5)0.4944 (2)0.0400 (8)
C140.2633 (3)0.1088 (5)0.5659 (2)0.0393 (9)
H14A0.19990.13870.60250.047*
C150.2109 (3)0.0432 (6)0.5026 (2)0.0500 (10)
H15A0.17700.13060.53850.060*
H15B0.27400.09460.47280.060*
C160.1082 (3)0.0420 (6)0.4290 (2)0.0484 (10)
H16A0.02620.01690.44310.058*
C170.1324 (3)0.2376 (6)0.4322 (2)0.0464 (10)
H17A0.07190.29420.46380.056*
C180.3658 (3)0.2322 (6)0.4354 (2)0.0491 (10)
H18A0.44630.24540.47560.074*
H18B0.35560.31630.38560.074*
H18C0.35870.11890.40830.074*
C190.6522 (3)0.2217 (6)0.7196 (2)0.0510 (10)
H19A0.72640.21700.76790.077*
H19B0.65900.31400.67650.077*
H19C0.64190.11480.68550.077*
C200.1078 (3)0.2932 (6)0.3267 (2)0.0527 (11)
H20A0.18850.31930.31060.063*
C210.0265 (5)0.4514 (8)0.3033 (3)0.0797 (14)
H21A0.01600.47640.23680.119*
H21B0.06530.54760.33940.119*
H21C0.05330.43030.31890.119*
C220.0586 (3)0.1277 (7)0.2732 (2)0.0491 (10)
C230.0926 (3)0.1031 (7)0.1774 (2)0.0617 (13)
H23A0.18220.09390.18540.074*
H23B0.06620.20320.13820.074*
C240.0330 (3)0.0562 (8)0.1273 (3)0.0679 (13)
H24A0.06900.15790.16110.081*
H24B0.04980.06060.06360.081*
C250.1073 (3)0.0555 (7)0.1221 (2)0.0595 (11)
H25A0.14320.04040.08140.071*
C260.1318 (4)0.0246 (8)0.2209 (3)0.0642 (13)
H26A0.22080.01590.21720.077*
H26B0.10210.12300.26050.077*
C270.1697 (4)0.2213 (8)0.0808 (3)0.0868 (16)
H27A0.25750.21430.07910.130*
H27B0.13540.31680.11970.130*
H27C0.15560.23720.01760.130*
O10.4823 (2)0.4524 (4)0.88540 (17)0.0571 (7)
O30.5876 (4)0.2744 (5)1.0545 (2)0.0923 (12)
H30.586 (5)0.157 (10)1.080 (4)0.139*
O60.5771 (3)0.1760 (4)0.79290 (18)0.0568 (7)
O220.1126 (2)0.0097 (4)0.33333 (16)0.0524 (7)
O260.0732 (2)0.1282 (5)0.26491 (16)0.0577 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.056 (2)0.036 (2)0.0497 (19)0.001 (2)0.0146 (17)0.0011 (19)
C20.054 (2)0.041 (2)0.048 (2)0.007 (2)0.0095 (16)0.003 (2)
C30.065 (2)0.046 (3)0.0446 (19)0.006 (2)0.0111 (17)0.003 (2)
C40.056 (2)0.040 (2)0.0454 (19)0.005 (2)0.0077 (16)0.0022 (19)
C50.0452 (19)0.031 (2)0.0405 (17)0.0001 (18)0.0077 (14)0.0001 (17)
C60.058 (2)0.033 (2)0.0409 (18)0.000 (2)0.0155 (16)0.0044 (19)
C70.065 (2)0.030 (2)0.0492 (19)0.008 (2)0.0051 (17)0.0006 (19)
C80.0437 (19)0.034 (2)0.0424 (18)0.0004 (17)0.0104 (15)0.0029 (17)
C90.0436 (18)0.031 (2)0.0433 (17)0.0026 (18)0.0090 (14)0.0010 (18)
C100.0467 (19)0.028 (2)0.0431 (17)0.0031 (18)0.0114 (14)0.0012 (17)
C110.070 (3)0.031 (2)0.050 (2)0.003 (2)0.0016 (18)0.0031 (19)
C120.061 (2)0.037 (3)0.053 (2)0.008 (2)0.0082 (18)0.004 (2)
C130.0426 (19)0.036 (2)0.0428 (18)0.0050 (18)0.0109 (14)0.0033 (19)
C140.0436 (19)0.037 (2)0.0388 (17)0.0027 (18)0.0106 (14)0.0001 (18)
C150.059 (2)0.044 (2)0.0450 (18)0.005 (2)0.0057 (16)0.006 (2)
C160.046 (2)0.055 (3)0.044 (2)0.002 (2)0.0062 (16)0.000 (2)
C170.0418 (19)0.053 (3)0.047 (2)0.006 (2)0.0149 (15)0.003 (2)
C180.0480 (19)0.056 (3)0.0456 (18)0.001 (2)0.0135 (15)0.012 (2)
C190.047 (2)0.054 (3)0.054 (2)0.005 (2)0.0175 (16)0.001 (2)
C200.051 (2)0.057 (3)0.049 (2)0.005 (2)0.0076 (17)0.009 (2)
C210.089 (3)0.069 (3)0.072 (3)0.014 (3)0.004 (2)0.011 (3)
C220.0386 (19)0.063 (3)0.0459 (19)0.006 (2)0.0081 (15)0.011 (2)
C230.047 (2)0.090 (4)0.049 (2)0.004 (3)0.0118 (16)0.005 (2)
C240.064 (3)0.090 (4)0.048 (2)0.010 (3)0.0063 (18)0.009 (3)
C250.055 (2)0.068 (3)0.049 (2)0.005 (3)0.0041 (17)0.006 (2)
C260.047 (2)0.084 (4)0.060 (2)0.007 (3)0.0079 (17)0.004 (3)
C270.086 (3)0.089 (4)0.075 (3)0.004 (4)0.007 (2)0.017 (3)
O10.0619 (16)0.0494 (18)0.0618 (15)0.0045 (15)0.0165 (12)0.0125 (15)
O30.173 (3)0.054 (2)0.0662 (18)0.009 (2)0.063 (2)0.0026 (18)
O60.0764 (18)0.0364 (17)0.0571 (15)0.0140 (16)0.0122 (13)0.0033 (14)
O220.0551 (15)0.057 (2)0.0417 (13)0.0037 (14)0.0016 (11)0.0017 (14)
O260.0370 (13)0.079 (2)0.0576 (14)0.0042 (16)0.0109 (10)0.0043 (17)
Geometric parameters (Å, º) top
C1—O11.443 (4)C15—C161.535 (5)
C1—C21.468 (5)C15—H15A0.9700
C1—C101.503 (5)C15—H15B0.9700
C1—H1A0.9800C16—O221.443 (4)
C2—O11.459 (4)C16—C171.542 (6)
C2—C31.502 (6)C16—H16A0.9800
C2—H2A0.9800C17—C201.549 (5)
C3—O31.422 (4)C17—H17A0.9800
C3—C41.512 (6)C18—H18A0.9600
C3—H3A0.9800C18—H18B0.9600
C4—C51.524 (4)C18—H18C0.9600
C4—H4A0.9700C19—H19A0.9600
C4—H4B0.9700C19—H19B0.9600
C5—C61.505 (5)C19—H19C0.9600
C5—C101.555 (5)C20—C211.517 (7)
C5—H5A0.9800C22—C201.540 (6)
C6—O61.215 (4)C20—H20A0.9800
C6—C71.511 (5)C21—H21A0.9600
C7—C81.547 (5)C21—H21B0.9600
C7—H7A0.9700C21—H21C0.9600
C7—H7B0.9700C22—O261.427 (4)
C8—C141.529 (4)C22—O221.427 (5)
C8—C91.537 (5)C22—C231.510 (5)
C8—H8A0.9800C23—C241.513 (7)
C9—C111.538 (5)C23—H23A0.9700
C9—C101.558 (5)C23—H23B0.9700
C9—H9A0.9800C24—C251.526 (5)
C10—C191.538 (5)C24—H24A0.9700
C11—C121.533 (5)C24—H24B0.9700
C11—H11A0.9700C25—C261.515 (5)
C11—H11B0.9700C25—C271.523 (8)
C12—C131.517 (6)C25—H25A0.9800
C12—H12A0.9700C26—O261.437 (6)
C12—H12B0.9700C26—H26A0.9700
C13—C181.540 (5)C26—H26B0.9700
C13—C141.549 (5)C27—H27A0.9600
C13—C171.551 (5)C27—H27B0.9600
C14—C151.531 (5)C27—H27C0.9600
C14—H14A0.9800O3—H30.99 (8)
O1—C1—C260.2 (2)C14—C15—H15A111.3
O1—C1—C10115.0 (3)C16—C15—H15A111.3
C2—C1—C10121.8 (3)C14—C15—H15B111.3
O1—C1—H1A116.0C16—C15—H15B111.3
C2—C1—H1A116.0H15A—C15—H15B109.2
C10—C1—H1A116.0O22—C16—C15112.3 (3)
O1—C2—C159.1 (2)O22—C16—C17105.4 (3)
O1—C2—C3116.4 (3)C15—C16—C17107.8 (3)
C1—C2—C3122.3 (4)O22—C16—H16A110.4
O1—C2—H2A115.6C15—C16—H16A110.4
C1—C2—H2A115.6C17—C16—H16A110.4
C3—C2—H2A115.6C16—C17—C20104.5 (3)
O3—C3—C2106.0 (3)C16—C17—C13104.6 (3)
O3—C3—C4113.9 (3)C20—C17—C13119.8 (3)
C2—C3—C4114.5 (3)C16—C17—H17A109.1
O3—C3—H3A107.4C20—C17—H17A109.1
C2—C3—H3A107.4C13—C17—H17A109.1
C4—C3—H3A107.4C13—C18—H18A109.5
C3—C4—C5113.6 (3)C13—C18—H18B109.5
C3—C4—H4A108.8H18A—C18—H18B109.5
C5—C4—H4A108.8C13—C18—H18C109.5
C3—C4—H4B108.8H18A—C18—H18C109.5
C5—C4—H4B108.8H18B—C18—H18C109.5
H4A—C4—H4B107.7C10—C19—H19A109.5
C6—C5—C4114.6 (3)C10—C19—H19B109.5
C6—C5—C10107.3 (3)H19A—C19—H19B109.5
C4—C5—C10113.0 (3)C10—C19—H19C109.5
C6—C5—H5A107.2H19A—C19—H19C109.5
C4—C5—H5A107.2H19B—C19—H19C109.5
C10—C5—H5A107.2C21—C20—C22115.7 (3)
O6—C6—C5123.2 (3)C21—C20—C17115.0 (4)
O6—C6—C7122.2 (4)C22—C20—C17103.4 (3)
C5—C6—C7114.4 (3)C21—C20—H20A107.4
C6—C7—C8109.9 (3)C22—C20—H20A107.4
C6—C7—H7A109.7C17—C20—H20A107.4
C8—C7—H7A109.7C20—C21—H21A109.5
C6—C7—H7B109.7C20—C21—H21B109.5
C8—C7—H7B109.7H21A—C21—H21B109.5
H7A—C7—H7B108.2C20—C21—H21C109.5
C14—C8—C9109.3 (3)H21A—C21—H21C109.5
C14—C8—C7113.2 (3)H21B—C21—H21C109.5
C9—C8—C7110.8 (3)O26—C22—O22110.1 (3)
C14—C8—H8A107.8O26—C22—C23110.7 (3)
C9—C8—H8A107.8O22—C22—C23108.1 (3)
C7—C8—H8A107.8O26—C22—C20106.8 (3)
C8—C9—C11112.5 (2)O22—C22—C20105.1 (3)
C8—C9—C10111.9 (3)C23—C22—C20115.9 (3)
C11—C9—C10113.1 (3)C22—C23—C24112.1 (4)
C8—C9—H9A106.2C22—C23—H23A109.2
C11—C9—H9A106.2C24—C23—H23A109.2
C10—C9—H9A106.2C22—C23—H23B109.2
C1—C10—C19106.7 (3)C24—C23—H23B109.2
C1—C10—C5108.7 (3)H23A—C23—H23B107.9
C19—C10—C5111.3 (3)C23—C24—C25110.9 (4)
C1—C10—C9109.9 (3)C23—C24—H24A109.5
C19—C10—C9112.5 (3)C25—C24—H24A109.5
C5—C10—C9107.7 (3)C23—C24—H24B109.5
C12—C11—C9113.2 (3)C25—C24—H24B109.5
C12—C11—H11A108.9H24A—C24—H24B108.1
C9—C11—H11A108.9C26—C25—C27110.4 (4)
C12—C11—H11B108.9C26—C25—C24108.7 (3)
C9—C11—H11B108.9C27—C25—C24112.8 (4)
H11A—C11—H11B107.7C26—C25—H25A108.3
C13—C12—C11111.2 (3)C27—C25—H25A108.3
C13—C12—H12A109.4C24—C25—H25A108.3
C11—C12—H12A109.4O26—C26—C25113.4 (4)
C13—C12—H12B109.4O26—C26—H26A108.9
C11—C12—H12B109.4C25—C26—H26A108.9
H12A—C12—H12B108.0O26—C26—H26B108.9
C12—C13—C18110.1 (3)C25—C26—H26B108.9
C12—C13—C14108.0 (3)H26A—C26—H26B107.7
C18—C13—C14111.7 (3)C25—C27—H27A109.5
C12—C13—C17115.1 (3)C25—C27—H27B109.5
C18—C13—C17111.3 (3)H27A—C27—H27B109.5
C14—C13—C17100.3 (3)C25—C27—H27C109.5
C8—C14—C15120.5 (3)H27A—C27—H27C109.5
C8—C14—C13113.3 (3)H27B—C27—H27C109.5
C15—C14—C13103.5 (2)C1—O1—C260.8 (2)
C8—C14—H14A106.2C3—O3—H3108 (3)
C15—C14—H14A106.2C22—O22—C16106.3 (3)
C13—C14—H14A106.2C22—O26—C26113.1 (3)
C14—C15—C16102.4 (3)
C10—C1—C2—O1102.6 (4)C7—C8—C14—C13178.8 (3)
O1—C1—C2—C3103.6 (4)C12—C13—C14—C860.5 (4)
C10—C1—C2—C31.0 (6)C18—C13—C14—C860.7 (4)
O1—C2—C3—O355.9 (4)C17—C13—C14—C8178.7 (3)
C1—C2—C3—O3124.6 (4)C12—C13—C14—C15167.2 (3)
O1—C2—C3—C470.5 (4)C18—C13—C14—C1571.6 (3)
C1—C2—C3—C41.9 (5)C17—C13—C14—C1546.4 (3)
O3—C3—C4—C591.3 (4)C8—C14—C15—C16167.7 (3)
C2—C3—C4—C530.9 (4)C13—C14—C15—C1639.8 (3)
C3—C4—C5—C6178.1 (3)C14—C15—C16—O22133.3 (3)
C3—C4—C5—C1058.6 (4)C14—C15—C16—C1717.6 (4)
C4—C5—C6—O612.7 (5)O22—C16—C17—C2017.6 (4)
C10—C5—C6—O6113.5 (3)C15—C16—C17—C20137.6 (3)
C4—C5—C6—C7171.6 (3)O22—C16—C17—C13109.2 (3)
C10—C5—C6—C762.1 (4)C15—C16—C17—C1310.9 (4)
O6—C6—C7—C8118.9 (4)C12—C13—C17—C16150.1 (3)
C5—C6—C7—C856.8 (4)C18—C13—C17—C1683.9 (4)
C6—C7—C8—C14174.1 (3)C14—C13—C17—C1634.5 (3)
C6—C7—C8—C951.0 (4)C12—C13—C17—C2093.4 (4)
C14—C8—C9—C1151.0 (4)C18—C13—C17—C2032.7 (5)
C7—C8—C9—C11176.4 (3)C14—C13—C17—C20151.0 (4)
C14—C8—C9—C10179.6 (3)C16—C17—C20—C21132.8 (4)
C7—C8—C9—C1055.0 (3)C13—C17—C20—C21110.6 (4)
O1—C1—C10—C19165.4 (3)C16—C17—C20—C225.7 (4)
C2—C1—C10—C1996.3 (4)C13—C17—C20—C22122.3 (4)
O1—C1—C10—C545.2 (4)C21—C20—C22—O2637.2 (4)
C2—C1—C10—C523.9 (5)C17—C20—C22—O2689.5 (3)
O1—C1—C10—C972.4 (4)C21—C20—C22—O22154.2 (3)
C2—C1—C10—C9141.5 (3)C17—C20—C22—O2227.5 (3)
C6—C5—C10—C1180.0 (3)C21—C20—C22—C2386.6 (4)
C4—C5—C10—C152.8 (4)C17—C20—C22—C23146.7 (3)
C6—C5—C10—C1962.8 (3)O26—C22—C23—C2454.3 (5)
C4—C5—C10—C1964.4 (4)O22—C22—C23—C2466.4 (4)
C6—C5—C10—C960.9 (4)C20—C22—C23—C24176.1 (3)
C4—C5—C10—C9171.9 (3)C22—C23—C24—C2553.1 (5)
C8—C9—C10—C1178.3 (3)C23—C24—C25—C2651.7 (5)
C11—C9—C10—C153.4 (4)C23—C24—C25—C27174.5 (4)
C8—C9—C10—C1963.0 (4)C27—C25—C26—O26178.8 (4)
C11—C9—C10—C1965.3 (4)C24—C25—C26—O2654.6 (5)
C8—C9—C10—C560.0 (3)C10—C1—O1—C2113.8 (4)
C11—C9—C10—C5171.7 (3)C3—C2—O1—C1113.5 (4)
C8—C9—C11—C1251.0 (4)O26—C22—O22—C1674.3 (4)
C10—C9—C11—C12179.0 (3)C23—C22—O22—C16164.6 (3)
C9—C11—C12—C1354.4 (4)C20—C22—O22—C1640.3 (3)
C11—C12—C13—C1865.2 (4)C15—C16—O22—C22153.4 (3)
C11—C12—C13—C1457.1 (4)C17—C16—O22—C2236.3 (3)
C11—C12—C13—C17168.1 (3)O22—C22—O26—C2663.1 (4)
C9—C8—C14—C15179.5 (3)C23—C22—O26—C2656.4 (5)
C7—C8—C14—C1555.5 (4)C20—C22—O26—C26176.6 (3)
C9—C8—C14—C1357.1 (3)C25—C26—O26—C2258.4 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O3—H3···O1i0.99 (8)1.86 (8)2.804 (5)158 (5)
Symmetry code: (i) x+1, y1/2, z+2.
 

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