Information card for entry 1511778

Structure parameters

• Chemical name: bis(5-cyanato-4-methoxy- 2-methylphenyl)methane
• Formula: C19 H18 N2 O4
• Calculated formula: C19 H18 N2 O4
• SMILES: COc1cc(C)c(cc1OC#N)Cc1cc(OC#N)c(cc1C)OC
• Title of publication: Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol.
• Authors of publication: Meylemans, Heather A.; Harvey, Benjamin G.; Reams, Josiah T.; Guenthner, Andrew J.; Cambrea, Lee R.; Groshens, Thomas J.; Baldwin, Lawrence C.; Garrison, Michael D.; Mabry, Joseph M.
• Journal of publication: Biomacromolecules
• Year of publication: 2013
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 771 - 780
• a: 17.5687 ± 0.0012 Å
• b: 4.777 ± 0.0003 Å
• c: 22.8294 ± 0.0016 Å
• α: 90°
• β: 112.446 ± 0.001°
• γ: 90°
• Cell volume: 1770.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No