Information card for entry 2010417

Structure parameters

• Common name: securinine
• Formula: C13 H15 N O2
• Calculated formula: C13 H15 N O2
• SMILES: O=C1C=C2[C@@]3(O1)C[C@@H](C=C2)N1[C@@H]3CCCC1
• Title of publication: Securinine, an Alkaloid from Fluggea virosa
• Authors of publication: Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Thanh Ky, Pham; Ke Long, Phan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Pages of publication: 127 - 129
• a: 16.492 ± 0.004 Å
• b: 9.483 ± 0.003 Å
• c: 7.025 ± 0.002 Å
• α: 90 ± 0.02°
• β: 90 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 1098.7 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.026
• Duplicate of: 2003181
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No