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Information card for entry 4037928
Preview
| Coordinates | 4037928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H13 N O3 |
|---|---|
| Calculated formula | C11 H13 N O3 |
| SMILES | O(CC)C1(Oc2c(NC1=O)cccc2)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 | 5.518 ± 0.009 Å |
| b | 12.69 ± 0.02 Å |
| c | 15.56 ± 0.03 Å |
| α | 73.19 ± 0.05° |
| β | 90° |
| γ | 90° |
| Cell volume | 1043 ± 3 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 | 0.2583 |
| Residual factor for significantly intense reflections | 0.1451 |
| Weighted residual factors for significantly intense reflections | 0.3266 |
| Weighted residual factors for all reflections included in the refinement | 0.4302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.919 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248181 (current) | 2020-02-15 | cif/ Adding structures of 4037928 via cif-deposit CGI script. |
4037928.cif |
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