Information card for entry 1513352

Structure parameters

• Formula: C10 H18 O4
• Calculated formula: C10 H18 O4
• SMILES: O1C2(OC[C@H](O)[C@@H](O)C1)CCCCC2.O1C2(OC[C@@H](O)[C@H](O)C1)CCCCC2
• Title of publication: Stereospecific CO2Copolymers from 3,5-Dioxaepoxides: Crystallization and Functionallization
• Authors of publication: Liu, Ye; Wang, Meng; Ren, Wei-Min; He, Ke-Ke; Xu, Yue-Chao; Liu, Jie; Lu, Xiao-Bing
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1269
• a: 17.8563 ± 0.0018 Å
• b: 6.4916 ± 0.0008 Å
• c: 8.8522 ± 0.0012 Å
• α: 90°
• β: 98.862 ± 0.007°
• γ: 90°
• Cell volume: 1013.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0683
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No