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Information card for entry 7156725
Preview
| Coordinates | 7156725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H15 N O3 S |
|---|---|
| Calculated formula | C18 H15 N O3 S |
| Title of publication | Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles. |
| Authors of publication | Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 13 |
| Pages of publication | 3451 - 3461 |
| a | 13.1858 ± 0.0004 Å |
| b | 8.0088 ± 0.0002 Å |
| c | 15.5088 ± 0.0004 Å |
| α | 90° |
| β | 107.498 ± 0.003° |
| γ | 90° |
| Cell volume | 1561.98 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0955 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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. |
7156725.cif |
| 225200 | 2019-11-08 | cif/ Updating files of 7156724, 7156725, 7156726 Original log message: Adding full bibliography for 7156724--7156726.cif. |
7156725.cif |
| 214046 | 2019-03-08 | cif/ Adding structures of 7156724, 7156725, 7156726 via cif-deposit CGI script. |
7156725.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.