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Information card for entry 1555710
Preview
| Coordinates | 1555710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 F N O2 |
|---|---|
| Calculated formula | C14 H8 F N O2 |
| SMILES | Fc1ccc(c2oc(=O)c3ccccc3n2)cc1 |
| Title of publication | Selective Oxidative Decarbonylative Cleavage of Unstrained C(sp(3))-C(sp(2)) Bond: Synthesis of Substituted Benzoxazinones. |
| Authors of publication | Verma, Ajay; Kumar, Sangit |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 17 |
| Pages of publication | 4388 - 4391 |
| a | 12.021 ± 0.002 Å |
| b | 3.7932 ± 0.0006 Å |
| c | 23.197 ± 0.004 Å |
| α | 90° |
| β | 90.203 ± 0.007° |
| γ | 90° |
| Cell volume | 1057.7 ± 0.3 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 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 | 0.1254 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239041 (current) | 2019-11-24 | cif/ Adding structures of 1555710 via cif-deposit CGI script. |
1555710.cif |
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