Information card for entry 7106504

Structure parameters

• Formula: C15 H17 N O3 S
• Calculated formula: C15 H17 N O3 S
• SMILES: S(=O)(=O)(c1ccccn1)C[C@@H](CCc1ccccc1)O
• Title of publication: Catalytic asymmetric conjugate boration of ?,?-unsaturated sulfones
• Authors of publication: Abraham L. Moure; Ramon Gomez Arrayas; Juan C. Carretero
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6701
• a: 6.1538 ± 0.0011 Å
• b: 21.31 ± 0.004 Å
• c: 11.187 ± 0.002 Å
• α: 90°
• β: 95.366 ± 0.008°
• γ: 90°
• Cell volume: 1460.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No