Information card for entry 4029747

Structure parameters

• Formula: C15 H27 N O5
• Calculated formula: C15 H27 N O5
• SMILES: O1CC[C@](NC(=O)OC(C)(C)C)([C@H]1C)C(=O)OC(C)(C)C.O1CC[C@@](NC(=O)OC(C)(C)C)([C@@H]1C)C(=O)OC(C)(C)C
• Title of publication: Synthesis of new Calpha-tetrasubstituted alpha-amino acids.
• Authors of publication: Grauer, Andreas A.; König, Burkhard
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2009
• Journal volume: 5
• Pages of publication: 5
• a: 10.1882 ± 0.0003 Å
• b: 10.616 ± 0.0004 Å
• c: 16.3593 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1769.39 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• 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: 0.0719
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No