Information card for entry 2007521

Structure parameters

• Common name: 3α-Bikhaconine
• Formula: C28 H47 N O9
• Calculated formula: C28 H47 N O9
• SMILES: O([C@H]1C[C@@H](O)[C@@]2([C@H]3[C@@H](OC)[C@@H]4[C@]5(O)[C@@H]6[C@H]([C@]13[C@@H]4N(C2)CC)C[C@@](O)([C@@H]6O)[C@@H](OC)C5)COC)C.O=C(C)C
• Title of publication: 3α-Bikhaconine Acetone Solvate
• Authors of publication: Parvez, Masood; Gul, Waseem; Anwar, Saeed
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1139 - 1141
• a: 11.832 ± 0.001 Å
• b: 14.216 ± 0.002 Å
• c: 16.649 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2800.4 ± 0.7 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 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: 0.059
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No