Information card for entry 2231901

Structure parameters

• Chemical name: 1,3-Dicyclohexyl-3-[(pyridin-2-yl)carbonyl]urea monohydrate
• Formula: C19 H29 N3 O3
• Calculated formula: C19 H29 N3 O3
• Title of publication: 1,3-Dicyclohexyl-3-[(pyridin-2-yl)carbonyl]urea monohydrate from synchrotron radiation
• Authors of publication: Pinheiro, Alessandra C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2676 - o2677
• a: 18.639 ± 0.019 Å
• b: 5.035 ± 0.005 Å
• c: 21.59 ± 0.02 Å
• α: 90°
• β: 111.395 ± 0.009°
• γ: 90°
• Cell volume: 1887 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.6905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes