Information card for entry 2208554

Structure parameters

• Chemical name: 9-(3,4-Dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione
• Formula: C23 H25 Cl2 N O2
• Calculated formula: C23 H25 Cl2 N O2
• SMILES: Clc1cc(C2C3=C(NC4=C2C(=O)CC(C4)(C)C)CC(CC3=O)(C)C)ccc1Cl
• Title of publication: 9-(3,4-Dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Authors of publication: Liang-Ce Rong; Xiao-Yue Li; Chang-Sheng Yao; Hai-Ying Wang; Da-Qing Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1326 - o1327
• a: 14.155 ± 0.003 Å
• b: 14.352 ± 0.003 Å
• c: 10.704 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2174.5 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes