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Information card for entry 7224743
Preview
| Coordinates | 7224743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H25 N O9 |
|---|---|
| Calculated formula | C25 H25 N O9 |
| SMILES | O(C)c1ccc(N2C(=O)c3c(C2=O)c(c(c(c3C(=O)OCC)C(=O)OCC)C(=O)OCC)C)cc1 |
| 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 | 23.7419 ± 0.0009 Å |
| b | 8.0217 ± 0.0003 Å |
| c | 31.6881 ± 0.0009 Å |
| α | 90° |
| β | 127.152 ± 0.002° |
| γ | 90° |
| Cell volume | 4810.1 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0671 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1259 |
| Weighted residual factors for all reflections included in the refinement | 0.1408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| 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. |
7224743.cif |
| 183711 | 2016-06-18 | cif/ Updating files of 7224743, 7224744 Original log message: Adding full bibliography for 7224743--7224744.cif. |
7224743.cif |
| 180608 | 2016-03-30 | cif/ Adding structures of 7224743 via cif-deposit CGI script. |
7224743.cif |
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Users of the data should acknowledge the original authors of the
structural data.