Information card for entry 8107269

Structure parameters

• Formula: C24 H20 Cl2 O2
• Calculated formula: C24 H20 Cl2 O2
• SMILES: Clc1ccc(cc1)C(=O)CC(c1cccc(c1)C)CC(=O)c1ccc(Cl)cc1
• Title of publication: The crystal structure of 1,5-bis(4-chlorophenyl)-3-(3-methylphenyl)pentane- 1,5-dione, C48H40Cl4O4
• Authors of publication: Li, Zhen; Liu, Wanxing; Wang, Baolei; Yang, Yanbing; Liu, Dong; Dai, Yifan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 977 - 979
• a: 7.1407 ± 0.0005 Å
• b: 12.5905 ± 0.0008 Å
• c: 24.6662 ± 0.0017 Å
• α: 103.442 ± 0.006°
• β: 93.551 ± 0.005°
• γ: 101.219 ± 0.005°
• Cell volume: 2102.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No