Information card for entry 7106294

Structure parameters

• Formula: C15 H15 N O2 S
• Calculated formula: C15 H15 N O2 S
• SMILES: c12ccccc1C[C@H](c1cc(ccc1)C)NS2(=O)=O
• Title of publication: Enantioselective Pd-catalyzed hydrogenation of enesulfonamides
• Authors of publication: Chang-Bin Yu; Kao Gao; Duo-Sheng Wang; Lei Shi; Yong-Gui Zhou
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5052
• a: 4.972 ± 0.004 Å
• b: 13.87 ± 0.01 Å
• c: 19.934 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1374.7 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0907
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1275
• 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