Information card for entry 2207183

Structure parameters

• Chemical name: 9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10- decahydroacridine-10-acetic acid
• Formula: C25 H28 Cl N O4
• Calculated formula: C25 H28 Cl N O4
• SMILES: Clc1ccc(C2C3=C(N(C4=C2C(=O)CC(C4)(C)C)CC(=O)O)CC(CC3=O)(C)C)cc1
• Title of publication: 9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridine-10-acetic acid
• Authors of publication: Shuj-Jiang Tu; Qian Wang; Jin-Peng Zhang; Xiao-Tong Zhu; Jia-Ning Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3743 - o3745
• a: 12.655 ± 0.003 Å
• b: 16.582 ± 0.003 Å
• c: 11.5 ± 0.003 Å
• α: 90°
• β: 107.708 ± 0.006°
• γ: 90°
• Cell volume: 2298.9 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1319
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes