Information card for entry 1545581

Structure parameters

• Formula: C7 H10 O5
• Calculated formula: C7 H10 O5
• SMILES: C1(=O)OC[C@@H]2[C@@H](C[C@H](O2)OC)O1
• Title of publication: Polymers from sugars and CO2: ring-opening polymerisation and copolymerisation of cyclic carbonates derived from 2-deoxy-d-ribose
• Authors of publication: Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 2093
• a: 5.8577 ± 0.0001 Å
• b: 11.0062 ± 0.0001 Å
• c: 11.8828 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 766.096 ± 0.016 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No