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Information card for entry 7238874
Preview
| Coordinates | 7238874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H32 Br2 N4 |
|---|---|
| Calculated formula | C26 H32 Br2 N4 |
| Title of publication | Abnormal bis-NHC mediated aerial oxidation of arylaldehydes: highly efficient transformation of arylaldehydes to the corresponding carboxylic acids catalyzed by organic catalysts |
| Authors of publication | Yang, Wei; Gou, Gao-Zhang; Wang, Yi; Fu, Wen-Fu |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 18 |
| Pages of publication | 6334 |
| a | 18.05 ± 0.004 Å |
| b | 6.754 ± 0.0014 Å |
| c | 21.429 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2612.4 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1203 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1322 |
| Weighted residual factors for all reflections included in the refinement | 0.1715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238874.cif |
| 244439 | 2019-11-28 | cif/ Adding structures of 7238874, 7238875, 7238876 via cif-deposit CGI script. |
7238874.cif |
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Users of the data should acknowledge the original authors of the
structural data.