Information card for entry 8106039

Structure parameters

• Chemical name: (S)-tert-butyl-(1-hydroxypropan-2-yl)carbamate
• Formula: C8 H17 N O3
• Calculated formula: C8 H17 N O3
• Title of publication: Crystal structure of (S)-tert-butyl-(1-hydroxypropan-2-yl)carbamate, C8H17NO3
• Authors of publication: Alapour, Saba; Zamisa, Sizwe J.; Koorbanally, Neil A.; Ramjugernath, Deresh
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 49 - 50
• a: 10.4369 ± 0.0003 Å
• b: 9.4976 ± 0.0002 Å
• c: 10.8153 ± 0.0003 Å
• α: 90°
• β: 114.911 ± 0.001°
• γ: 90°
• Cell volume: 972.33 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No