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Information card for entry 7157352
Preview
| Coordinates | 7157352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H10 Cl N O3 |
|---|---|
| Calculated formula | C17 H10 Cl N O3 |
| SMILES | c12ccccc1C(=O)N1C2(C(=O)C=C1c1ccc(cc1)Cl)O |
| Title of publication | Access to pyrrolo[2,1-a]isoindolediones from oxime acetates and ninhydrin via Cu(i)-mediated domino annulations. |
| Authors of publication | Upare, Atul; Chouhan, Neeraj Kumar; Ramaraju, Andhavaram; Sridhar, Balasubramanian; Bathula, Surendar Reddy |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 9 |
| Pages of publication | 1743 - 1746 |
| a | 16.2453 ± 0.0004 Å |
| b | 8.9674 ± 0.0002 Å |
| c | 9.7074 ± 0.0002 Å |
| α | 90° |
| β | 93.2014 ± 0.001° |
| γ | 90° |
| Cell volume | 1411.95 ± 0.06 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1071 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1299 |
| Weighted residual factors for all reflections included in the refinement | 0.1423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.441 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157352.cif |
| 257907 | 2020-10-06 | cif/ Updating files of 7157352 Original log message: Adding full bibliography for 7157352.cif. |
7157352.cif |
| 249046 | 2020-03-05 | cif/ Updating files of 7157352 Original log message: Adding full bibliography for 7157352.cif. |
7157352.cif |
| 248201 | 2020-02-15 | cif/ Adding structures of 7157352 via cif-deposit CGI script. |
7157352.cif |
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Users of the data should acknowledge the original authors of the
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