Information card for entry 2221038

Structure parameters

• Chemical name: 1,5-Bis(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]pentane-1,5-dione
• Formula: C25 H23 Cl2 N O2
• Calculated formula: C25 H23 Cl2 N O2
• SMILES: Clc1ccc(C(=O)CC(CC(=O)c2ccc(Cl)cc2)c2ccc(N(C)C)cc2)cc1
• Title of publication: 1,5-Bis(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]pentane-1,5-dione
• Authors of publication: Lei, Xinyou; Bai, Xiaohua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o514
• a: 6.1059 ± 0.0011 Å
• b: 12.566 ± 0.0016 Å
• c: 14.731 ± 0.002 Å
• α: 75.516 ± 0.001°
• β: 85.953 ± 0.002°
• γ: 87.215 ± 0.002°
• Cell volume: 1091.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes