Information card for entry 2212343

Structure parameters

• Chemical name: (S)-3-phenyl-2-(tosylamino)propan-1-ol
• Formula: C16 H19 N O3 S
• Calculated formula: C16 H19 N O3 S
• SMILES: S(=O)(=O)(N[C@H](CO)Cc1ccccc1)c1ccc(cc1)C
• Title of publication: (<i>S</i>)-3-Phenyl-2-(tosylamino)propan-1-ol
• Authors of publication: K. Chinnakali; M. Poornachandran; R. Raghunathan; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1030 - o1031
• a: 5.6735 ± 0.0001 Å
• b: 11.592 ± 0.0002 Å
• c: 23.2014 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1525.89 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0545
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes