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Information card for entry 7119065
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| Coordinates | 7119065.cif |
|---|
| Formula | C22 H18 N2 O3 S |
|---|---|
| Calculated formula | C22 H18 N2 O3 S |
| SMILES | S(=O)(=O)(N(c1nc(oc1c1ccccc1)c1ccccc1)c1ccccc1)C |
| Title of publication | Dioxazoles, a new mild nitrene transfer reagent in gold catalysis: highly efficient synthesis of functionalized oxazoles |
| Authors of publication | Ming Chen; Ning Sun; Haoyi Chen; Yuanhong Liu |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 6324 |
| a | 9.4353 ± 0.0013 Å |
| b | 17.316 ± 0.002 Å |
| c | 11.6428 ± 0.0017 Å |
| α | 90° |
| β | 92.321 ± 0.003° |
| γ | 90° |
| Cell volume | 1900.7 ± 0.4 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 | 0.0614 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1255 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184110 (current) | 2016-07-01 | cif/ Adding structures of 7119065, 7119066, 7119067 via cif-deposit CGI script. |
7119065.cif |
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Users of the data should acknowledge the original authors of the
structural data.