Information card for entry 1558460

Structure parameters

• Formula: C11 H14.5 O3.25
• Calculated formula: C11 H14.5 O3.25
• SMILES: O1C[C@H]2O[C@@H]1[C@@H](O)[C@H]1[C@@H]2[C@H]2C=C[C@@H]1C2.O
• Title of publication: Synthesis of Functionally and Stereochemically Diverse Polymers via Ring-Opening Metathesis Polymerization of Derivatives of the Biomass-Derived Platform Molecule Levoglucosenone Produced at Industrial Scale
• Authors of publication: Banwell, Martin G.; Liu, Xin; Connal, Luke A.; Gardiner, Michael G.
• Journal of publication: Macromolecules
• Year of publication: 2020
• a: 5.90591 ± 0.00005 Å
• b: 16.31586 ± 0.00014 Å
• c: 19.9754 ± 0.00017 Å
• α: 90°
• β: 91.6764 ± 0.0007°
• γ: 90°
• Cell volume: 1924.01 ± 0.03 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0273
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No