Information card for entry 7156450

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: 11.2418 ± 0.0017 Å
• b: 11.3491 ± 0.0016 Å
• c: 11.7184 ± 0.0018 Å
• α: 98.339 ± 0.003°
• β: 114.149 ± 0.003°
• γ: 93.521 ± 0.003°
• Cell volume: 1337.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No