Information card for entry 7104185

Structure parameters

• Formula: C10 H14 O6
• Calculated formula: C10 H14 O6
• SMILES: C1(=O)[C@H](CC[C@@H](COC(=O)C)O1)OC(=O)C.C1(=O)[C@@H](CC[C@H](COC(=O)C)O1)OC(=O)C
• Title of publication: Biomaterials from sugars: ring-opening polymerization of a carbohydrate lactone.
• Authors of publication: Tang, Min; White, Andrew J P; Stevens, Molly M; Williams, Charlotte K
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 941 - 943
• a: 7.19184 ± 0.00019 Å
• b: 14.5149 ± 0.0004 Å
• c: 11.0204 ± 0.0003 Å
• α: 90°
• β: 104.824 ± 0.003°
• γ: 90°
• Cell volume: 1112.11 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No