Information card for entry 2206390

Structure parameters

• Chemical name: 9-(4-Bromophenyl)-3,3,7-trimethyl-3,4-dihydroacridin-1(2H)-one
• Formula: C22 H20 Br N O
• Calculated formula: C22 H20 Br N O
• SMILES: Brc1ccc(c2c3cc(ccc3nc3CC(CC(=O)c23)(C)C)C)cc1
• Title of publication: 9-(4-Bromophenyl)-3,3,7-trimethyl-3,4-dihydroacridin-1(2<i>H</i>)-one
• Authors of publication: Shujiang Tu; Bo Jiang; Xiang Zou; Tuanjie Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2570 - o2572
• a: 10.045 ± 0.002 Å
• b: 10.247 ± 0.002 Å
• c: 11.261 ± 0.002 Å
• α: 111.134 ± 0.002°
• β: 112.428 ± 0.003°
• γ: 99.831 ± 0.003°
• Cell volume: 933.3 ± 0.3 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: 0.0466
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes