Information card for entry 7225401

Structure parameters

• Formula: C10 H10 O5
• Calculated formula: C10 H10 O5
• SMILES: C1(=O)[C@@]2(C[C@H]3C=C[C@]2(CO1)O3)CC(=O)O.C1(=O)[C@]2(C[C@@H]3C=C[C@@]2(CO1)O3)CC(=O)O
• Title of publication: Ring opening metathesis polymerisation of a new bio-derived monomer from itaconic anhydride and furfuryl alcohol
• Authors of publication: Bai, Yinjuan; De bruyn, Mario; Clark, James H.; Dodson, Jennifer R.; Farmer, Thomas J.; Honoré, Mathilde; Ingram, Ian D. V.; Naguib, Mohamed; Whitwood, Adrian C.; North, Michael
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 3945
• a: 10.6927 ± 0.0002 Å
• b: 7.81215 ± 0.00015 Å
• c: 10.6458 ± 0.0002 Å
• α: 90°
• β: 95.5149 ± 0.0018°
• γ: 90°
• Cell volume: 885.16 ± 0.03 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 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: 0.0354
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No