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Information card for entry 7160838
Preview
| Coordinates | 7160838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 N6 |
|---|---|
| Calculated formula | C20 H20 N6 |
| Title of publication | Unexpected Synthesis of 4,4ʹ-Bis(1,2,3-triazole)s from Calcium Carbide as an Acetylene Source via the Click Reaction |
| Authors of publication | Fu, Rugang; Cao, Cheng; Wang, Junke; Wen, Fei; Qiu, Dong; Zong, Yingxiao |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.3739 ± 0.0002 Å |
| b | 13.2079 ± 0.0003 Å |
| c | 32.2928 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3571.64 ± 0.15 Å3 |
| Cell temperature | 213 ± 0.1 K |
| Ambient diffraction temperature | 213 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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 |
|---|---|---|---|
| 303105 (current) | 2025-10-30 | cif/ Adding structures of 7160838 via cif-deposit CGI script. |
7160838.cif |
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