Information card for entry 2207606

Structure parameters

• Common name: 4F
• Chemical name: 1,1-dibenzoyl-3,3-dimethylurea
• Formula: C17 H16 N2 O3
• Calculated formula: C17 H16 N2 O3
• SMILES: N(C(=O)c1ccccc1)(C(=O)c1ccccc1)C(=O)N(C)C
• Title of publication: 1,1-Dibenzoyl-3,3-dimethylurea
• Authors of publication: Blewett, Gavin; Esterhuysen, Catharine; Bredenkamp, Martin W.; Koch, Klaus R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4042 - o4044
• a: 6.002 ± 0.003 Å
• b: 8.822 ± 0.005 Å
• c: 29.339 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1553.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0624
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes