Information card for entry 2010215

Structure parameters

• Formula: C17 H22 O6
• Calculated formula: C17 H22 O6
• SMILES: O1C(=O)[C@@](OC(=O)[C@@H]1C(C)(C)COC)(C)[C@@H](O)c1ccccc1.O1C(=O)[C@](OC(=O)[C@H]1C(C)(C)COC)(C)[C@H](O)c1ccccc1
• 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: 11.405 ± 0.001 Å
• b: 8.354 ± 0.001 Å
• c: 17.142 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1633.2 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No