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Information card for entry 1547097
Preview
| Coordinates | 1547097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 O2 |
|---|---|
| Calculated formula | C17 H16 O2 |
| SMILES | OC1(Cc2ccccc2)C(=O)c2c(cccc2)CC1 |
| Title of publication | Transition-Metal-Free C-H Hydroxylation of Carbonyl Compounds. |
| Authors of publication | Chaudhari, Moreshwar B.; Sutar, Yogesh; Malpathak, Shreyas; Hazra, Anirban; Gnanaprakasam, Boopathy |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 13 |
| Pages of publication | 3628 - 3631 |
| a | 12.241 ± 0.004 Å |
| b | 5.7694 ± 0.0018 Å |
| c | 18.543 ± 0.006 Å |
| α | 90° |
| β | 101.136 ± 0.008° |
| γ | 90° |
| Cell volume | 1284.9 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1276 |
| Residual factor for significantly intense reflections | 0.1097 |
| Weighted residual factors for significantly intense reflections | 0.382 |
| Weighted residual factors for all reflections included in the refinement | 0.3919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200615 (current) | 2017-09-12 | cif/ Adding structures of 1547097 via cif-deposit CGI script. |
1547097.cif |
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