Information card for entry 8107389

Structure parameters

• Formula: C17 H21 Cl N2 O
• Calculated formula: C17 H21 Cl N2 O
• Title of publication: The crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)urea, C17H21ClN2O
• Authors of publication: Pang, Liansu; Shao, Xiaojun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 183 - 184
• a: 9.275 ± 0.001 Å
• b: 12.864 ± 0.0017 Å
• c: 13.483 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1608.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1205
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No