Information card for entry 2222337

Structure parameters

• Chemical name: 4-Bromo-4'-(dimethylamino)stilbene
• Formula: C16 H16 Br N
• Calculated formula: C16 H16 Br N
• SMILES: Brc1ccc(cc1)/C=C\c1ccc(N(C)C)cc1
• Title of publication: 4-Bromo-4'-(dimethylamino)stilbene
• Authors of publication: Moreno-Fuquen, Rodolfo; Kennedy, Alan R.; Cordoba, Cristina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1475
• a: 14.804 ± 0.002 Å
• b: 6.0962 ± 0.0005 Å
• c: 15.2106 ± 0.001 Å
• α: 90°
• β: 95.331 ± 0.009°
• γ: 90°
• Cell volume: 1366.8 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 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: 0.156
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes