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Information card for entry 7059065
Preview
| Coordinates | 7059065.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H19 N3 Se |
|---|---|
| Calculated formula | C18 H19 N3 Se |
| Title of publication | Highly active mesoionic chalcogenone zinc(ii) derivatives for C–S cross-coupling reactions |
| Authors of publication | Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 1 |
| Pages of publication | 129 - 140 |
| a | 14.586 ± 0.0004 Å |
| b | 14.6224 ± 0.0004 Å |
| c | 7.9425 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1693.99 ± 0.09 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.083 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0848 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0276 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059065.cif |
| 257689 | 2020-10-06 | cif/ Updating files of 7059065, 7059066, 7059067, 7059068, 7059069, 7059070, 7059071, 7059072, 7059073 Original log message: Adding full bibliography for 7059065--7059073.cif. |
7059065.cif |
| 247772 | 2020-02-04 | cif/ Updating files of 7059065, 7059066, 7059067, 7059068, 7059069, 7059070, 7059071, 7059072, 7059073 Original log message: Adding full bibliography for 7059065--7059073.cif. |
7059065.cif |
| 231071 | 2019-11-20 | cif/ Adding structures of 7059065, 7059066, 7059067, 7059068, 7059069, 7059070, 7059071, 7059072, 7059073 via cif-deposit CGI script. |
7059065.cif |
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Users of the data should acknowledge the original authors of the
structural data.