Information card for entry 2221998

Structure parameters

• Common name: (<i>E</i>)-17β,19-Epoxymethano-17,23,24-tridemethyl-4-nor-5β,18α-olean- 3-one oxime
• Chemical name: (3<i>E</i>,3a<i>S</i>,5a<i>R</i>,5b<i>R</i>,7a<i>R</i>,11<i>R</i>,11a<i>R</i>, 11b<i>R</i>,13a<i>R</i>,13b<i>R</i>)-5a,5b,10,10,13b- pentamethylicosahydro-1<i>H</i>-11,7a- (epoxymethano)cyclopenta[<i>a</i>]chrysen-3-one oxime
• Formula: C27 H43 N O2
• Calculated formula: C27 H43 N O2
• SMILES: O/N=C1\CC[C@]2([C@@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@]1(CC[C@]13[C@@H]2[C@@H](OC3)C(CC1)(C)C)C)C)C
• Title of publication: (<i>E</i>)-17β,19-Epoxymethano-17,23,24-tridemethyl-4-nor-5β,18α-olean-3-one oxime
• Authors of publication: Froelich, Anna; Kazakova, Oxana B.; Tolstikov, Genrikh; Gzella, Andrzej K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1262
• a: 12.5887 ± 0.0016 Å
• b: 13.255 ± 0.0011 Å
• c: 14.5355 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2425.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes