Information card for entry 4022722

Structure parameters

• Formula: C17 H21 N O2 S
• Calculated formula: C17 H21 N O2 S
• SMILES: S(=O)(N[C@@H](c1c(O)cccc1)c1ccccc1)C(C)(C)C
• Title of publication: Syntheses of Novel Chiral Sulfinamido Ligands and Their Applications in Diethylzinc Additions to Aldehydes
• Authors of publication: Zhiyan Huang; Hongshan Lai; Yong Qin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1373 - 1378
• a: 9.3503 ± 0.0003 Å
• b: 9.8156 ± 0.0003 Å
• c: 9.7374 ± 0.0005 Å
• α: 90°
• β: 116.441 ± 0.001°
• γ: 90°
• Cell volume: 800.2 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0228
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No