Information card for entry 7156326

Structure parameters

• Formula: C24 H24 Br N3 O4 S2
• Calculated formula: C24 H24 Br N3 O4 S2
• Title of publication: Enantioselective Mannich reaction between rhodanines and isatin-derived ketimines to construct vicinal tetrasubstituted stereocenters.
• Authors of publication: Xu, Han; Kang, Tian-Chen; Sha, Feng; Wu, Xin-Yan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 5780 - 5787
• a: 8.7914 ± 0.001 Å
• b: 16.8836 ± 0.0019 Å
• c: 17.728 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2631.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No