Information card for entry 2010216

Structure parameters

• Formula: C13 H22 O6
• Calculated formula: C13 H22 O6
• SMILES: O1C(=O)[C@@](OC(=O)[C@@H]1C(C)(C)COC)(C)C(O)(C)C.O1C(=O)[C@](OC(=O)[C@H]1C(C)(C)COC)(C)C(O)(C)C
• Title of publication: Structural investigation of some lactides
• Authors of publication: Bolte, M.; Beck, H.; Nieger, M.; Egert, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1717 - 1721
• a: 10.899 ± 0.001 Å
• b: 11.056 ± 0.001 Å
• c: 12.174 ± 0.002 Å
• α: 90°
• β: 99.74 ± 0.02°
• γ: 90°
• Cell volume: 1445.8 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.34
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No