Information card for entry 7218936

Structure parameters

• Chemical name: 1,2-bis(4-cyanato-3-methoxyphenyl)ethane
• Formula: C18 H16 N2 O4
• Calculated formula: C18 H16 N2 O4
• SMILES: c1(cc(c(cc1)OC#N)OC)CCc1cc(c(cc1)OC#N)OC
• Title of publication: Renewable thermosetting resins and thermoplastics from vanillin
• Authors of publication: Harvey, Benjamin G.; Guenthner, Andrew J.; Meylemans, Heather A.; Haines, Shannon R. L.; Lamison, Kevin R.; Groshens, Thomas J.; Cambrea, Lee R.; Davis, Matthew C.; Lai, William W.
• Journal of publication: Green Chem.
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 1249
• a: 4.401 ± 0.0003 Å
• b: 12.3035 ± 0.0009 Å
• c: 14.8314 ± 0.0011 Å
• α: 90°
• β: 97.593 ± 0.001°
• γ: 90°
• Cell volume: 796.04 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0474
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No