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Information card for entry 7235387
Preview
Coordinates | 7235387.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H7 F3 N6 |
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Calculated formula | C11 H7 F3 N6 |
Title of publication | Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives |
Authors of publication | Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K. |
Journal of publication | Journal of Materials Chemistry A |
Year of publication | 2014 |
Journal volume | 2 |
Journal issue | 21 |
Pages of publication | 7917 |
a | 7.445 ± 0.002 Å |
b | 15.889 ± 0.005 Å |
c | 10.638 ± 0.003 Å |
α | 90° |
β | 109.22 ± 0.005° |
γ | 90° |
Cell volume | 1188.3 ± 0.6 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 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 | 0.0648 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0946 |
Weighted residual factors for all reflections included in the refinement | 0.1073 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
232721 (current) | 2019-11-23 | cif/ Adding structures of 7235382, 7235383, 7235384, 7235385, 7235386, 7235387, 7235388, 7235389, 7235390, 7235391 via cif-deposit CGI script. |
7235387.cif |
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Users of the data should acknowledge the original authors of the
structural data.