Information card for entry 7150371

Structure parameters

• Formula: C11 H19 N O6
• Calculated formula: C11 H19 N O6
• SMILES: COC(=O)[C@@]([C@@](C(=O)OC)(C)O)(CC)NC(=O)C.COC(=O)[C@]([C@](C(=O)OC)(C)O)(CC)NC(=O)C
• Title of publication: Stereoselective generation of vicinal stereogenic quaternary centers by photocycloaddition of 5-methoxy oxazoles to alpha-keto esters: synthesis of erythro beta-hydroxy dimethyl aspartates.
• Authors of publication: Griesbeck, Axel G.; Bondock, Samir; Lex, Johann
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 1113 - 1115
• a: 7.319 ± 0.001 Å
• b: 21.573 ± 0.001 Å
• c: 8.799 ± 0.001 Å
• α: 90°
• β: 108.02 ± 0.01°
• γ: 90°
• Cell volume: 1321.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1965
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No