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Information card for entry 7160877
Preview
| Coordinates | 7160877.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H15 Cl F3 N3 O |
|---|---|
| Calculated formula | C23 H15 Cl F3 N3 O |
| Title of publication | Elucidating the mechanism, origin of regioselectivity and substrate scope of structurally diverse 1,2,4-triazoles synthesis via rare type of diazo compounds reactivity |
| Authors of publication | Kuznetsov, Roman; Kantin, Grigory; Sapegin, Alexander; Novikov, Mikhail Sergeevich; Dar'in, Dmitry |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 21.1094 ± 0.0009 Å |
| b | 4.6693 ± 0.0004 Å |
| c | 20.8977 ± 0.0011 Å |
| α | 90° |
| β | 107.207 ± 0.005° |
| γ | 90° |
| Cell volume | 1967.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1074 |
| Residual factor for significantly intense reflections | 0.077 |
| Weighted residual factors for significantly intense reflections | 0.1736 |
| Weighted residual factors for all reflections included in the refinement | 0.1887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303450 (current) | 2025-11-27 | cif/ Adding structures of 7160876, 7160877 via cif-deposit CGI script. |
7160877.cif |
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Users of the data should acknowledge the original authors of the
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