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Information card for entry 7238958
Preview
| Coordinates | 7238958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H21 Br2 Cl N2 O2 |
|---|---|
| Calculated formula | C25 H21 Br2 Cl N2 O2 |
| Title of publication | Three-component domino reactions providing rapid and efficient routes to fully substituted pyrroles |
| Authors of publication | Liu, Jia-Yan; Li, Qiu-Yun; Jiang, Bo; Tu, Shu-Jiang |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 15 |
| Pages of publication | 5056 |
| a | 11.9309 ± 0.0011 Å |
| b | 14.0473 ± 0.0013 Å |
| c | 15.0113 ± 0.0015 Å |
| α | 100.801 ± 0.002° |
| β | 90.905 ± 0.001° |
| γ | 97.856 ± 0.001° |
| Cell volume | 2445.9 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2959 |
| Residual factor for significantly intense reflections | 0.1442 |
| Weighted residual factors for significantly intense reflections | 0.3698 |
| Weighted residual factors for all reflections included in the refinement | 0.4226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
7238958.cif |
| 244477 | 2019-11-28 | cif/ Adding structures of 7238956, 7238957, 7238958 via cif-deposit CGI script. |
7238958.cif |
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Users of the data should acknowledge the original authors of the
structural data.