Information card for entry 2209475

Structure parameters

• Chemical name: 11,11a,13a-Trimethyl-2,3,3a,3b,4,5,5a,6,11,11a,11b,12,13,13a- tetradecahydro-1<i>H</i>-7-azaindeno[5,4-<i>a</i>]anthracen-1-ol methanol solvate
• Formula: C24 H37 N O2
• Calculated formula: C24 H37 N O2
• SMILES: O[C@H]1[C@@]2(CC[C@@H]3[C@H](CC[C@@H]4Cc5ncccc5[C@H]([C@@]34C)C)[C@H]2CC1)C.OC
• Title of publication: 11,11a,13a-Trimethyl-2,3,3a,3b,4,5,5a,6,11,11a,11b,12,13,13a-tetradecahydro-1<i>H</i>-7-azaindeno[5,4-<i>a</i>]anthracen-1-ol methanol solvate
• Authors of publication: Ji-Zhong Yan; Jian Li; Guo-Wu Rao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2773 - o2774
• a: 7.4389 ± 0.0019 Å
• b: 10.599 ± 0.004 Å
• c: 27.299 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2152.4 ± 1.2 ų
• Cell temperature: 298.1 K
• Ambient diffraction temperature: 298 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes