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Information card for entry 7238813
Preview
| Coordinates | 7238813.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H23 Br N2 O7 |
|---|---|
| Calculated formula | C23 H23 Br N2 O7 |
| Title of publication | Catalyst-free, one-pot three-component 1,3-dipolar cycloaddition of diethyl 2-aminomalonate, benzaldehydes and 3-nitro-2H-chromenes |
| Authors of publication | Jia, Yang; Du, Da-Ming |
| Journal of publication | RSC Adv. |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | 1970 |
| a | 7.133 ± 0.002 Å |
| b | 9.113 ± 0.003 Å |
| c | 17.801 ± 0.006 Å |
| α | 89.141 ± 0.01° |
| β | 79.247 ± 0.008° |
| γ | 84.05 ± 0.008° |
| Cell volume | 1130.7 ± 0.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 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 | 0.0519 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| 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. |
7238813.cif |
| 244369 | 2019-11-28 | cif/ Adding structures of 7238813 via cif-deposit CGI script. |
7238813.cif |
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Users of the data should acknowledge the original authors of the
structural data.