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Information card for entry 1543979
Preview
| Coordinates | 1543979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | JBM-367 |
|---|---|
| Formula | C19 H15 N3 O |
| Calculated formula | C19 H15 N3 O |
| SMILES | O=C(Nc1c(/N=N/c2ccccc2)cccc1)c1ccccc1 |
| Title of publication | Selective Rhodium-Catalyzed C‒H Amidation of Azobenzenes with Dioxazolones under Mild Conditions |
| Authors of publication | Jeon, Bomi; Yeon, Uiseong; Son, Jeong-Yu; Lee, Phil Ho |
| Journal of publication | Organic Letters |
| Year of publication | 2016 |
| a | 17.259 ± 0.002 Å |
| b | 4.9915 ± 0.0006 Å |
| c | 18.893 ± 0.002 Å |
| α | 90° |
| β | 111.712 ± 0.004° |
| γ | 90° |
| Cell volume | 1512.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1369 |
| Residual factor for significantly intense reflections | 0.0777 |
| Weighted residual factors for significantly intense reflections | 0.1899 |
| Weighted residual factors for all reflections included in the refinement | 0.2149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186034 (current) | 2016-08-27 | cif/ Adding structures of 1543979 via cif-deposit CGI script. |
1543979.cif |
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