Information card for entry 2223309

Structure parameters

• Chemical name: 1-(3-Phenylpropyl)urea
• Formula: C10 H14 N2 O
• Calculated formula: C10 H14 N2 O
• SMILES: O=C(NCCCc1ccccc1)N
• Title of publication: 1-(3-Phenylpropyl)urea
• Authors of publication: Li, Yang; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2556
• a: 17.002 ± 0.004 Å
• b: 6.4953 ± 0.0015 Å
• c: 9.171 ± 0.002 Å
• α: 90°
• β: 91.401 ± 0.008°
• γ: 90°
• Cell volume: 1012.5 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes