Information card for entry 2219315

Structure parameters

• Chemical name: 10-(4-Chlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10- hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione
• Formula: C29 H29 Cl F N O2
• Calculated formula: C29 H29 Cl F N O2
• SMILES: Clc1ccc(N2C3=C(C(C4=C2CC(CC4=O)(C)C)c2ccc(F)cc2)C(=O)CC(C3)(C)C)cc1
• Title of publication: 10-(4-Chlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione
• Authors of publication: Zhao, Ling-Ling; Teng, Da
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1772 - o1773
• a: 12.0985 ± 0.0012 Å
• b: 10.9001 ± 0.001 Å
• c: 19.4724 ± 0.0018 Å
• α: 90°
• β: 101.231 ± 0.003°
• γ: 90°
• Cell volume: 2518.7 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes