Information card for entry 1515385

Structure parameters

• Common name: dihydroresveratrol tricyanate
• Formula: C17 H11 N3 O3
• Calculated formula: C17 H11 N3 O3
• SMILES: O(C#N)c1ccc(CCc2cc(OC#N)cc(OC#N)c2)cc1
• Title of publication: High Tg thermosetting resins from resveratrol
• Authors of publication: Cash, Jessica J.; Davis, Matthew C.; Ford, Michael D.; Groshens, Thomas J.; Guenthner, Andrew J.; Harvey, Benjamin G.; Lamison, Kevin R.; Mabry, Joseph M.; Meylemans, Heather A.; Reams, Josiah T.; Sahagun, Christopher M.
• Journal of publication: Polymer Chemistry
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 13
• Pages of publication: 3859
• a: 4.4993 ± 0.0002 Å
• b: 19.1442 ± 0.0008 Å
• c: 17.708 ± 0.0007 Å
• α: 90°
• β: 93.733 ± 0.001°
• γ: 90°
• Cell volume: 1522.05 ± 0.11 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: 0.0569
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No