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Information card for entry 4037927
Preview
| Coordinates | 4037927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N O3 |
|---|---|
| Calculated formula | C16 H15 N O3 |
| SMILES | O1C(OCc2ccccc2)(C(=O)Nc2c1cccc2)C |
| Title of publication | Sn-Catalyzed Criegee-Type Rearrangement of Peroxyoxindoles Enabled by Catalytic Dual Activation of Esters and Peroxides. |
| Authors of publication | Chaudhari, Moreshwar Bhagwan; Jayan, Krishna; Gnanaprakasam, Boopathy |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 5.449 ± 0.005 Å |
| b | 13.428 ± 0.012 Å |
| c | 18.08 ± 0.017 Å |
| α | 89.11 ± 0.02° |
| β | 89.82 ± 0.03° |
| γ | 89.99 ± 0.03° |
| Cell volume | 1323 ± 2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.2965 |
| Residual factor for significantly intense reflections | 0.0828 |
| Weighted residual factors for significantly intense reflections | 0.1505 |
| Weighted residual factors for all reflections included in the refinement | 0.2277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248180 (current) | 2020-02-15 | cif/ Adding structures of 4037927 via cif-deposit CGI script. |
4037927.cif |
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