Information card for entry 2232574

Structure parameters

• Chemical name: 6-Bromo-2-(3-phenylallylidene)-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one
• Formula: C21 H16 Br N O
• Calculated formula: C21 H16 Br N O
• Title of publication: 6-Bromo-2-(3-phenylallylidene)-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one
• Authors of publication: Velmurugan, R.; Sekar, M.; Vijayasankar, A. V.; Ramesh, P.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3269
• a: 17.3682 ± 0.0007 Å
• b: 14.9974 ± 0.0008 Å
• c: 6.6861 ± 0.0003 Å
• α: 90°
• β: 92.226 ± 0.002°
• γ: 90°
• Cell volume: 1740.27 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1106
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes