Information card for entry 1573033

Structure parameters

• Formula: C21 H22 O5
• Calculated formula: C21 H22 O5
• SMILES: O=C(Oc1c(OC)cc(cc1)CC=C)Oc1c(OC)cc(cc1)CC=C
• Title of publication: [Ru]-Catalyzed olefin metathesis and ethenolysis for the synthesis and recycling of bio-based polycarbonates and polycyanurates
• Authors of publication: Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; Randall McClain, K.; Baldwin, Lawrence C.; Harvey, Benjamin G.
• Journal of publication: Polymer Chemistry
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 133 - 148
• a: 15.9421 ± 0.0005 Å
• b: 8.679 ± 0.0003 Å
• c: 13.2926 ± 0.0004 Å
• α: 90°
• β: 101.624 ± 0.001°
• γ: 90°
• Cell volume: 1801.46 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No