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Information card for entry 4032483
Preview
Coordinates | 4032483.cif |
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Original paper (by DOI) | HTML |
Chemical name | 4-methyl-7-(4-hydroxyphenyl)-2H-[1,2,4]triazolo[3,2-c] [1,2,4]triazole acetic acid disolvate |
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Formula | C14 H17 N5 O5 |
Calculated formula | C14 H17 N5 O5 |
Title of publication | Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles. |
Authors of publication | Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
a | 11.593 ± 0.004 Å |
b | 18.283 ± 0.006 Å |
c | 7.6 ± 0.003 Å |
α | 90° |
β | 97.58 ± 0.02° |
γ | 90° |
Cell volume | 1596.8 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1983 |
Residual factor for significantly intense reflections | 0.0731 |
Weighted residual factors for significantly intense reflections | 0.1279 |
Weighted residual factors for all reflections included in the refinement | 0.1679 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032483.html
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