Information card for entry 7156449

Structure parameters

• Formula: C31 H28 F2 N2 O S
• Calculated formula: C31 H28 F2 N2 O S
• Title of publication: Aminative Umpolung cyclization for synthesis of chiral exocyclic vicinal diamines.
• Authors of publication: Liu, Feng; Zhao, Guoqing; Cai, Weiqi; Xu, Dongfang; Zhao, Baoguo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 40
• Pages of publication: 7498 - 7502
• a: 9.0912 ± 0.0017 Å
• b: 17.553 ± 0.003 Å
• c: 20.148 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3215.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 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: 0.1577
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No