Information card for entry 1515925

Structure parameters

• Common name: 08185b
• Formula: C6 H7 Br O4
• Calculated formula: C6 H7 Br O4
• SMILES: Br[C@]1(OC(=O)[C@@H](OC1=O)C)C
• Title of publication: High Tg aliphatic polyesters by the polymerization of spirolactide derivatives
• Authors of publication: Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A.
• Journal of publication: Polymer Chemistry
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 6
• Pages of publication: 870
• a: 8.349 ± 0.003 Å
• b: 5.2884 ± 0.0017 Å
• c: 9.007 ± 0.003 Å
• α: 90°
• β: 101.9 ± 0.004°
• γ: 90°
• Cell volume: 389.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No