Information card for entry 8106607

Structure parameters

• Formula: C11 H15 N O3 S
• Calculated formula: C11 H15 N O3 S
• Title of publication: Crystal structure of tert-butyl (phenylsulfinyl)carbamate, C11H15NO3S
• Authors of publication: Makam, Parameshwar; Samipillai, Marivel; Kruger, Hendrick G.; Govender, Thavendran; Naicker, Tricia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 577 - 578
• a: 9.5337 ± 0.001 Å
• b: 10.7168 ± 0.0011 Å
• c: 11.5675 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1181.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No