Information card for entry 8107095

Structure parameters

• Formula: C18 H19 Br Cl N O2 S
• Calculated formula: C18 H19 Br Cl N O2 S
• Title of publication: Crystal structure of 2-(bromomethyl)-4-(4-chlorophenyl)-1-tosylpyrrolidine, C18H19BrClNO2S2
• Authors of publication: Zhang, Jingfang; Liu, Yulong; Borjihan, Gereltu; He, Wei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1057 - 1058
• a: 21.324 ± 0.006 Å
• b: 5.8597 ± 0.0016 Å
• c: 14.966 ± 0.004 Å
• α: 90°
• β: 95.558 ± 0.005°
• γ: 90°
• Cell volume: 1861.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No