Information card for entry 8106949

Structure parameters

• Formula: C17 H22 N2 S
• Calculated formula: C17 H22 N2 S
• Title of publication: Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S
• Authors of publication: Al-Wahaibi, Lamya H.; Ghabbour, Hazem A.; Mostafa, Gamal A. E.; Almutairi, Maha S.; El-Emam, Ali A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 593 - 595
• a: 12.0579 ± 0.0007 Å
• b: 11.1213 ± 0.0005 Å
• c: 21.9741 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2946.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No