Information card for entry 1515926

Structure parameters

• Common name: 08191a
• Formula: C6 H6 O4
• Calculated formula: C6 H6 O4
• SMILES: O1C(=C)C(=O)O[C@H](C1=O)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: 5.7525 ± 0.0012 Å
• b: 7.0293 ± 0.0015 Å
• c: 7.8151 ± 0.0016 Å
• α: 90°
• β: 99.916 ± 0.002°
• γ: 90°
• Cell volume: 311.29 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No