Information card for entry 2201424

Structure parameters

• Chemical name: 2(S)-N-tert-Butoxycarbonylamino-N-methoxy-N-methyl-butanamide
• Formula: C11 H22 N2 O4
• Calculated formula: C11 H22 N2 O4
• SMILES: CON(C)C(=O)[C@H](CC)NC(=O)OC(C)(C)C
• Title of publication: 2(<i>S</i>)-<i>N</i>-<i>tert</i>-Butoxycarbonylamino-<i>N</i>-methoxy-<i>N</i>-methylbutanamide
• Authors of publication: Sawatzki, Peter; Mikeska, Thomas; Nieger, Martin; Hupfer, Heike; Kolter, Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1415 - o1417
• a: 6.6315 ± 0.0001 Å
• b: 9.8478 ± 0.0002 Å
• c: 20.9769 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1369.91 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0901
• 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: Yes