Information card for entry 2200265

Structure parameters

• Chemical name: 9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine- 1,8-dione
• Formula: C23 H26 Cl N O2
• Calculated formula: C23 H26 Cl N O2
• SMILES: Clc1ccc(C2C3=C(NC4=C2C(=O)CC(C4)(C)C)CC(CC3=O)(C)C)cc1
• Title of publication: 9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Authors of publication: Tu, Shu-Jiang; Deng, Xu; Du, Miao; Fang, Ya-Yin; Guo, Ya-Mei; Liu, Xiao-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o383 - o385
• a: 14.125 ± 0.003 Å
• b: 14.118 ± 0.003 Å
• c: 10.719 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2137.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.092
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes