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Information card for entry 1564903
Preview
Coordinates | 1564903.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H15 N3 O3 |
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Calculated formula | C23 H15 N3 O3 |
SMILES | O(c1ccc(C(c2ccc(OC#N)cc2)(c2ccc(OC#N)cc2)C)cc1)C#N |
Title of publication | Solvent-induced changes in the reactivity of tricyanate esters undergoing thermal polymerization |
Authors of publication | Galukhin, Andrey; Nikolaev, Ilya; Nosov, Roman; Islamov, Daut; Vyazovkin, Sergey |
Journal of publication | Polymer Chemistry |
Year of publication | 2021 |
Journal volume | 12 |
Journal issue | 42 |
Pages of publication | 6179 - 6187 |
a | 15.6119 ± 0.0002 Å |
b | 13.3664 ± 0.0002 Å |
c | 8.8742 ± 0.0001 Å |
α | 90° |
β | 98.224 ± 0.001° |
γ | 90° |
Cell volume | 1832.78 ± 0.04 Å3 |
Cell temperature | 99.9 ± 0.4 K |
Ambient diffraction temperature | 99.9 ± 0.4 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 | 0.0428 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.131 |
Weighted residual factors for all reflections included in the refinement | 0.1355 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
270517 (current) | 2021-11-06 | cif/ Updating files of 1564903 Original log message: Adding full bibliography for 1564903.cif. |
1564903.cif |
269896 | 2021-10-12 | cif/ Adding structures of 1564903 via cif-deposit CGI script. |
1564903.cif |
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