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Information card for entry 7159599
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Coordinates | 7159599.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H12 N4 O2 |
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Calculated formula | C12 H12 N4 O2 |
Title of publication | Synthesis of 1,2,3-triazole-fused N-heterocycles from <i>N</i>-alkynyl hydroxyisoindolinones and sodium azide <i>via</i> the Huisgen reaction. |
Authors of publication | Arandhara, Pallav Jyoti; Behera, Bipin Kumar; Biswas, Subhamoy; Saikia, Anil K. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 43 |
Pages of publication | 8772 - 8781 |
a | 10.047 ± 0.0008 Å |
b | 4.9832 ± 0.0004 Å |
c | 11.8477 ± 0.001 Å |
α | 90° |
β | 104.242 ± 0.002° |
γ | 90° |
Cell volume | 574.94 ± 0.08 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0405 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1103 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.715 |
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/7159599.html
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Users of the data should acknowledge the original authors of the
structural data.