Information card for entry 2205775

Structure parameters

• Chemical name: 10-Amino-3,3,6,6-tetramethyl-9-(4-bromophenyl)-3,4,5,6,9,10-hexahydroacridine- 1,8(2H,7H)-dione
• Formula: C23 H27 Br N2 O2
• Calculated formula: C23 H27 Br N2 O2
• SMILES: Brc1ccc(C2C3=C(N(N)C4=C2C(=O)CC(C4)(C)C)CC(CC3=O)(C)C)cc1
• Title of publication: 10-Amino-9-(4-bromophenyl)-3,3,6,6-tetramethyl-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione
• Authors of publication: Shu-Jiang Tu; Jin-Peng Zhang; Xiao-Tong Zhu; Jia-Ning Xu; Qian Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1491 - o1493
• a: 11.8053 ± 0.001 Å
• b: 15.6404 ± 0.0015 Å
• c: 22.432 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4141.8 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes