Information card for entry 2010217

Structure parameters

• Formula: C15 H22 O6
• Calculated formula: C15 H22 O6
• SMILES: COCC([C@H]1OC(=O)[C@](OC1=O)(C)[C@H]1CCC(=O)C1)(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: 7.503 ± 0.001 Å
• b: 19.33 ± 0.002 Å
• c: 10.957 ± 0.002 Å
• α: 90°
• β: 102.91 ± 0.02°
• γ: 90°
• Cell volume: 1549 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.27
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No