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Information card for entry 7232166
Preview
| Coordinates | 7232166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H21 Cl N2 O3 |
|---|---|
| Calculated formula | C25 H21 Cl N2 O3 |
| Title of publication | Formal [4 + 1] cycloaddition of in situ generated 1,2-diaza-1,3-dienes with diazo esters: facile approaches to dihydropyrazoles containing a quaternary center |
| Authors of publication | Chen, Bo; Chu, Wen-Dao; Liu, Quan-Zhong |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 3 |
| Pages of publication | 1487 |
| a | 6.3041 ± 0.0016 Å |
| b | 12.0699 ± 0.0017 Å |
| c | 14.252 ± 0.003 Å |
| α | 88.684 ± 0.012° |
| β | 79.885 ± 0.012° |
| γ | 89.121 ± 0.014° |
| Cell volume | 1067.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0745 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1608 |
| Weighted residual factors for all reflections included in the refinement | 0.1693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7232166.cif |
| 213042 | 2019-01-13 | cif/ Adding structures of 7232166 via cif-deposit CGI script. |
7232166.cif |
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Users of the data should acknowledge the original authors of the
structural data.