Information card for entry 2009881

Structure parameters

• Common name: Geneserine hydrochloride
• Chemical name: {(-)2-,3,4,4a,9,9a-hexahydro-2,4aα,9α-trimethyl-1,2-oxazino [6,5-b]indol-6-ol methylcarbamate} hydrochloride
• Formula: C15 H23 Cl N3 O3.5
• Calculated formula: C15 H23 Cl N3 O3.5
• SMILES: O[N+]1(CC[C@@]2([C@H]1N(c1c2cc(OC(=O)NC)cc1)C)C)C.[Cl-].O
• Title of publication: Geneserine hydrochloride
• Authors of publication: Bacchi, Alessia; Pelizzi, Giancarlo; Redenti, Enrico; Delcanale, Maurizio; Amari, Gabriele; Ventura, Paolo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1126 - 1130
• a: 10.23 ± 0.003 Å
• b: 9.858 ± 0.003 Å
• c: 9.761 ± 0.003 Å
• α: 108.39 ± 0.04°
• β: 72.85 ± 0.02°
• γ: 83 ± 0.03°
• Cell volume: 867.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.1237
• Weighted residual factors for significantly intense reflections: 0.114
• Goodness-of-fit parameter for all reflections: 0.914
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No