Information card for entry 7223441

Structure parameters

• Formula: C23 H26 N2 O2
• Calculated formula: C23 H26 N2 O2
• SMILES: O(C#N)c1cc(c(Cc2c(cc(OC#N)c(c2)C)C(C)C)cc1C)C(C)C
• Title of publication: Sustainable hydrophobic thermosetting resins and polycarbonates from turpentine
• Authors of publication: Harvey, Benjamin G.; Guenthner, Andrew J.; Koontz, Thomas A.; Storch, Perrin J.; Reams, Josiah T.; Groshens, Thomas J.
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 2416
• a: 9.0471 ± 0.0006 Å
• b: 17.5709 ± 0.0011 Å
• c: 12.943 ± 0.0008 Å
• α: 90°
• β: 109.25 ± 0.001°
• γ: 90°
• Cell volume: 1942.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No