Information card for entry 2208438

Structure parameters

• Common name: (S)-1-[(S)-1-(tert-Butoxycarbonylamino)ethyl]oxirane
• Chemical name: tert-Butyl (S)-N-[(S)-(1-oxiranylethyl)]carbamate
• Formula: C9 H17 N O3
• Calculated formula: C9 H17 N O3
• SMILES: O1[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)C
• Title of publication: <i>tert</i>-Butyl (<i>S</i>)-<i>N</i>-[(<i>S</i>)-1-(oxiranyl)ethyl]carbamate
• Authors of publication: Rubén A. Toscano; Benjamín Ortiz; Rubén Sánchez-Obregón; Fernando Walls; Francisco Yuste
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o925 - o927
• a: 9.741 ± 0.002 Å
• b: 10.882 ± 0.002 Å
• c: 10.492 ± 0.001 Å
• α: 90°
• β: 90.04 ± 0.01°
• γ: 90°
• Cell volume: 1112.2 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.116
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes