Information card for entry 2012038

Structure parameters

• Common name: 4-Biphenylylurea
• Chemical name: 4-Biphenylylurea
• Formula: C13 H12 N2 O
• Calculated formula: C13 H12 N2 O
• SMILES: O=C(Nc1ccc(c2ccccc2)cc1)N
• Title of publication: <i>N</i>-(4-Biphenylyl)urea
• Authors of publication: George, Sumod; Nangia, Ashwini; Lynch, Vincent M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 777 - 778
• a: 9.37 ± 0.0004 Å
• b: 13.033 ± 0.0005 Å
• c: 17.521 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2139.65 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes