Information card for entry 7209249

Structure parameters

• Common name: N,N'-diphenylurea
• Chemical name: N,N'-diphenylurea
• Formula: C13 H12 N2 O
• Calculated formula: C13 H12 N2 O
• Title of publication: A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives
• Authors of publication: Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2084
• a: 9.09 ± 0.002 Å
• b: 10.372 ± 0.002 Å
• c: 11.77 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1109.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.021
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for all reflections included in the refinement: 0.044
• RFsqd: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 2.348
• Diffraction radiation wavelength: 0.6 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No