Information card for entry 1543332

Structure parameters

• Formula: C29 H27 N O4 S
• Calculated formula: C29 H27 N O4 S
• SMILES: c1cc(OC)ccc1[C@]1(NS(=O)(=O)Oc2ccccc12)C[C@@H](c1ccccc1C)c1ccccc1
• Title of publication: Construction of Cyclic Sulfamidates Bearing Two gem-Diaryl Stereocenters through a Rhodium-Catalyzed Stepwise Asymmetric Arylation Protocol.
• Authors of publication: Zhang, Yu-Fang; Chen, Diao; Chen, Wen-Wen; Xu, Ming-Hua
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 2726 - 2729
• a: 8.3536 ± 0.001 Å
• b: 13.8716 ± 0.0016 Å
• c: 21.444 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2484.9 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No