Information card for entry 2202790

Structure parameters

• Chemical name: 9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-10-(4-methylphenyl)- 1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Formula: C30 H32 Cl N O2
• Calculated formula: C30 H32 Cl N O2
• SMILES: Clc1ccc(cc1)C1C2=C(N(C3=C1C(=O)CC(C3)(C)C)c1ccc(cc1)C)CC(CC2=O)(C)C
• Title of publication: 9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-10-(4-methylphenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Authors of publication: Xiangshan Wang; Daqing Shi; Shujiang Tu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1139 - o1140
• a: 15.246 ± 0.002 Å
• b: 11.007 ± 0.002 Å
• c: 16.244 ± 0.002 Å
• α: 90°
• β: 102.31 ± 0.01°
• γ: 90°
• Cell volume: 2663.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes