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Information card for entry 1515384
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Coordinates | 1515384.cif |
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Original paper (by DOI) | HTML |
Common name | resveratrol tricyanate |
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Formula | C17 H9 N3 O3 |
Calculated formula | C17 H9 N3 O3 |
SMILES | O(C#N)c1ccc(/C=C/c2cc(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 | 3.9559 ± 0.0003 Å |
b | 20.3303 ± 0.0014 Å |
c | 18.2471 ± 0.0013 Å |
α | 90° |
β | 95.041 ± 0.001° |
γ | 90° |
Cell volume | 1461.84 ± 0.18 Å3 |
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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0947 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.0966 |
Weighted residual factors for all reflections included in the refinement | 0.1208 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515384.cif |
111470 | 2014-04-23 | cif/ Adding structures of 1515384, 1515385 via cif-deposit CGI script. |
1515384.cif |
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Users of the data should acknowledge the original authors of the
structural data.