Information card for entry 2006624

Structure parameters

• Common name: Aloperine
• Chemical name: (6R,7R,9R,11S)–16,17-Didehydro–9–de–2–piperidinylormosanine
• Formula: C15 H24 N2
• Calculated formula: C15 H24 N2
• SMILES: N12CCCC[C@H]1[C@H]1C[C@@H](C2)[C@H]2NCCCC2=C1
• Title of publication: Relative and Absolute Configuration of Aloperine
• Authors of publication: Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1510 - 1512
• a: 9.006 ± 0.002 Å
• b: 6.6905 ± 0.0013 Å
• c: 10.963 ± 0.002 Å
• α: 90°
• β: 97.415 ± 0.014°
• γ: 90°
• Cell volume: 655 ± 0.2 ų
• Cell temperature: 158 K
• Ambient diffraction temperature: 158 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.0931
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No