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Information card for entry 7224744
Preview
| Coordinates | 7224744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H17 N O8 |
|---|---|
| Calculated formula | C21 H17 N O8 |
| SMILES | c1(ccccc1)N1C(=O)c2c(C1=O)c(c(c(c2C(=O)OC)C(=O)OC)C(=O)OC)C |
| Title of publication | Water – the best solvent for DMAP-mediated dual cyclization towards metal-free first synthesis of fully substituted phthalimides |
| Authors of publication | Samai, Subhasis; Ghosh, Debasish; Das, Uttam K.; Atta, Sanghamitra; Manna, Saikat K.; Maiti, Dilip K. |
| Journal of publication | Green Chem. |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 10 |
| Pages of publication | 2961 |
| a | 8.133 ± 0.003 Å |
| b | 11.671 ± 0.004 Å |
| c | 11.708 ± 0.003 Å |
| α | 63.061 ± 0.014° |
| β | 84.432 ± 0.014° |
| γ | 75.914 ± 0.014° |
| Cell volume | 960.8 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0498 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224744.cif |
| 183711 | 2016-06-18 | cif/ Updating files of 7224743, 7224744 Original log message: Adding full bibliography for 7224743--7224744.cif. |
7224744.cif |
| 180609 | 2016-03-30 | cif/ Adding structures of 7224744 via cif-deposit CGI script. |
7224744.cif |
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Users of the data should acknowledge the original authors of the
structural data.