Information card for entry 2208966

Structure parameters

• Chemical name: 12-(4-Bromophenyl)-9,9-dimethyl-1,2,3,4,9,10-hexahydrobenzo[a]acridin-11-one
• Formula: C25 H22 Br N O
• Calculated formula: C25 H22 Br N O
• SMILES: Brc1ccc(C2C3=C(Nc4c2c2ccccc2cc4)CC(CC3=O)(C)C)cc1
• Title of publication: 12-(4-Bromophenyl)-9,9-dimethyl-1,2,3,4,9,10-hexahydrobenz[<i>a</i>]acridin-11-one
• Authors of publication: Run-Hong Jia; Qian-Shang Zhang; Shu-Jiang Tu; Yan Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2032 - o2033
• a: 7.296 ± 0.004 Å
• b: 9.597 ± 0.005 Å
• c: 15.304 ± 0.008 Å
• α: 94.038 ± 0.007°
• β: 93.465 ± 0.008°
• γ: 103.331 ± 0.007°
• Cell volume: 1036.9 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes