Information card for entry 8105906

Structure parameters

• Formula: C33 H31 Br N2 O3
• Calculated formula: C33 H31 Br N2 O3
• Title of publication: Crystal structure of 4-(2-bromo-4-(6-morpholino-3-phenyl-3H-benzo[f]chromen-3-yl) cyclohexa-2,5-dien-1-yl)morpholine, C33H31BrN2O
• Authors of publication: Liu, Fu-Jie; Wang, Guo-Xi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 965 - 967
• a: 10.2014 ± 0.0015 Å
• b: 21.499 ± 0.003 Å
• c: 12.1885 ± 0.0018 Å
• α: 90°
• β: 95.175 ± 0.002°
• γ: 90°
• Cell volume: 2662.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.1002
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No