Information card for entry 2218805

Structure parameters

• Chemical name: 3,3-Dimethyl-10-(4-methoxyphenyl)-9-(4-nitrophenyl)- 1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Formula: C28 H28 N2 O5
• Calculated formula: C28 H28 N2 O5
• SMILES: O=C1C2=C(N(C3=C(C2c2ccc(N(=O)=O)cc2)C(=O)CCC3)c2ccc(OC)cc2)CC(C1)(C)C
• Title of publication: 3,3-Dimethyl-10-(4-methoxyphenyl)-9-(4-nitrophenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Authors of publication: Miao, Chunbao; Yao, Changsheng; Tu, Shujiang; Sun, Xiaoqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1262
• a: 12.463 ± 0.002 Å
• b: 12.104 ± 0.002 Å
• c: 16.408 ± 0.003 Å
• α: 90°
• β: 98.251 ± 0.005°
• γ: 90°
• Cell volume: 2449.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes