Information card for entry 1520177

Structure parameters

• Chemical name: N,N'-bis(4-Methoxyphenyl)urea
• Formula: C15 H16 N2 O3
• Calculated formula: C15 H16 N2 O3
• SMILES: c1(ccc(cc1)OC)NC(=O)Nc1ccc(cc1)OC
• Title of publication: N,N'-bis(4-Methoxyphenyl)urea
• Authors of publication: Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 680
• a: 9.2339 ± 0.0003 Å
• b: 11.954 ± 0.0004 Å
• c: 13.463 ± 0.0004 Å
• α: 64.502 ± 0.002°
• β: 87.652 ± 0.002°
• γ: 76.67 ± 0.002°
• Cell volume: 1302.32 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1118
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No