Information card for entry 8106447

Structure parameters

• Formula: C24 H25 Cl N2 O2
• Calculated formula: C24 H25 Cl N2 O2
• SMILES: [C@H](CNC(=O)N(C)C)(c1ccc(cc1)Cl)C(c1ccccc1)(c1ccccc1)O
• Title of publication: Crystal structure of 3-(2-(4-chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dimethylurea, C24H25ClN2O2
• Authors of publication: Alshammari, Mohammed B.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 101 - 103
• a: 5.9066 ± 0.0002 Å
• b: 15.7928 ± 0.0003 Å
• c: 21.7829 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2031.95 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No