Information card for entry 1573034

Structure parameters

• Formula: C33 H33 N3 O6
• Calculated formula: C33 H33 N3 O6
• SMILES: O(c1nc(Oc2ccc(cc2OC)CC=C)nc(Oc2c(OC)cc(cc2)CC=C)n1)c1c(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: 13.0353 ± 0.0005 Å
• b: 11.7214 ± 0.0005 Å
• c: 20.182 ± 0.0008 Å
• α: 90°
• β: 107.691 ± 0.001°
• γ: 90°
• Cell volume: 2937.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No