Information card for entry 1507149

Structure parameters

• Formula: C15 H27 N O6
• Calculated formula: C15 H27 N O6
• SMILES: O=C(O)C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: An Asymmetric Synthesis of l-Pyrrolysine.
• Authors of publication: Wong, Margaret L.; Guzei, Ilia A.; Kiessling, Laura L.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1378 - 1381
• a: 9.626 ± 0.0003 Å
• b: 10.836 ± 0.0004 Å
• c: 17.7861 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1855.22 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0274
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No