Information card for entry 1519921

Structure parameters

• Chemical name: N,N'-bis(3-Methoxyphenyl)urea
• Formula: C15 H16 N2 O3
• Calculated formula: C15 H16 N2 O3
• SMILES: O(C)c1cc(ccc1)NC(=O)Nc1cc(OC)ccc1
• Title of publication: N,N'-bis(3-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: 684
• a: 10.0265 ± 0.0003 Å
• b: 4.5597 ± 0.0002 Å
• c: 29.0659 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1328.83 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No