Information card for entry 2100199

Structure parameters

• Common name: Strychnine
• Chemical name: Strychnine
• Formula: C21 H22 N2 O2
• Calculated formula: C21 H22 N2 O2
• SMILES: O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3
• Title of publication: Charge density of (‒)-strychnine from 100 to 15 K, a comparison of four data sets
• Authors of publication: Messerschmidt, Marc; Scheins, Stephan; Luger, Peter
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: 115 - 121
• a: 11.326 ± 0.001 Å
• b: 11.765 ± 0.001 Å
• c: 11.994 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1598.2 ± 0.2 ų
• Cell temperature: 25 K
• Ambient diffraction temperature: 25 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: 0.021
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for all reflections included in the refinement: 0.0182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No