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Information card for entry 7229252
Preview
| Coordinates | 7229252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H11 N O |
|---|---|
| Calculated formula | C18 H11 N O |
| SMILES | c1cccc2[nH]c3ccc4c5ccccc5oc4c3c12 |
| Title of publication | Photochemical intramolecular amination for the synthesis of heterocycles |
| Authors of publication | Parisien-Collette, Shawn; Cruché, Corentin; Abel-Snape, Xavier; Collins, Shawn K. |
| Journal of publication | Green Chem. |
| Year of publication | 2017 |
| a | 21.6561 ± 0.0006 Å |
| b | 5.3166 ± 0.0001 Å |
| c | 22.9403 ± 0.0006 Å |
| α | 90° |
| β | 114.074 ± 0.001° |
| γ | 90° |
| Cell volume | 2411.53 ± 0.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0428 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201334 (current) | 2017-09-27 | cif/ Adding structures of 7229252 via cif-deposit CGI script. |
7229252.cif |
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Users of the data should acknowledge the original authors of the
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