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Information card for entry 7239019
Preview
| Coordinates | 7239019.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H15 Cl N2 O5 |
|---|---|
| Calculated formula | C23 H15 Cl N2 O5 |
| Title of publication | Highly enantioselective aza-Michael addition reactions of 4-nitrophthalimide with α,β-unsaturated ketones |
| Authors of publication | Ma, Shijun; Wu, Lulu; Liu, Ming; Xu, Xiufang; Huang, Yaodong; Wang, Yongmei |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 29 |
| Pages of publication | 11498 |
| a | 5.9139 ± 0.0018 Å |
| b | 18.664 ± 0.006 Å |
| c | 8.834 ± 0.003 Å |
| α | 90° |
| β | 93.314 ± 0.005° |
| γ | 90° |
| Cell volume | 973.4 ± 0.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections included in the refinement | 0.0555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| 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. |
7239019.cif |
| 244510 | 2019-11-28 | cif/ Adding structures of 7239019 via cif-deposit CGI script. |
7239019.cif |
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Users of the data should acknowledge the original authors of the
structural data.