Information card for entry 7152335

Structure parameters

• Formula: C14 H13 Br N2 O4 S2
• Calculated formula: C14 H13 Br N2 O4 S2
• Title of publication: A highly enantioselective approach towards 2-substituted 3-bromopyrrolidines
• Authors of publication: Chen, Jie; Zhou, Ling; Yeung, Ying-Yeung
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 19
• Pages of publication: 3808
• a: 7.4711 ± 0.0007 Å
• b: 11.1765 ± 0.001 Å
• c: 19.4619 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1625.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No