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Information card for entry 1570379
Preview
| Coordinates | 1570379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H48 Cu4 I4 N8 |
|---|---|
| Calculated formula | C43 H48 Cu4 I4 N8 |
| Title of publication | On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation |
| Authors of publication | Jin, Xiaodong; Lin, Yongjie; Davies, Robert P. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 24 |
| Pages of publication | 7181 - 7189 |
| a | 20.0759 ± 0.0002 Å |
| b | 16.97565 ± 0.00017 Å |
| c | 14.15214 ± 0.00016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4823.07 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 52 |
| Hermann-Mauguin space group symbol | P n n a |
| Hall space group symbol | -P 2a 2bc |
| Residual factor for all reflections | 0.0294 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288718 (current) | 2024-01-06 | cif/ Updating files of 1570378, 1570379, 1570380, 1570381, 1570382, 1570383 Original log message: Adding full bibliography for 1570378--1570383.cif. |
1570379.cif |
| 287838 | 2023-11-29 | cif/ Adding structures of 1570378, 1570379, 1570380, 1570381, 1570382, 1570383 via cif-deposit CGI script. |
1570379.cif |
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Users of the data should acknowledge the original authors of the
structural data.