Information card for entry 8107035

Structure parameters

• Formula: C15 H20 Cl N3 O
• Calculated formula: C15 H20 Cl N3 O
• Title of publication: Crystal structure of (2RS,3RS)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol, C15H20ClN3O
• Authors of publication: Wan-Ming, Xiong; Juan-Hua, Kong; Jing, Chen; Jin-Zhu, Chen; Xu-Liang, Nie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 879 - 881
• a: 19.3 ± 0.002 Å
• b: 10.8262 ± 0.0011 Å
• c: 15.4282 ± 0.0016 Å
• α: 90°
• β: 100.457 ± 0.004°
• γ: 90°
• Cell volume: 3170.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No