Information card for entry 2222936

Structure parameters

• Chemical name: <i>N</i>-Cyclohexyl-5<i>H</i>,7<i>H</i>-13,15-dimethyl-9-nitro-5- oxophenanthrido[4,4a,5-<i>bc</i>][1,4]benzoxazepine-7-carboxamide
• Formula: C29 H27 N3 O5
• Calculated formula: C29 H27 N3 O5
• Title of publication: <i>N</i>-Cyclohexyl-5<i>H</i>,7<i>H</i>-13,15-dimethyl-9-nitro-5-oxophenanthrido[4,4a,5-<i>bc</i>][1,4]benzoxazepine-7-carboxamide
• Authors of publication: Luo, Jia-Lu; Wu, Jin-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1996
• a: 10.7451 ± 0.0004 Å
• b: 27.8791 ± 0.0007 Å
• c: 8.4917 ± 0.0003 Å
• α: 90°
• β: 105.428 ± 0.013°
• γ: 90°
• Cell volume: 2452.1 ± 0.2 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes