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Information card for entry 7120456
Preview
| Coordinates | 7120456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | DB- 0276 |
|---|---|
| Formula | C20 H19 Br N2 O2 |
| Calculated formula | C20 H19 Br N2 O2 |
| SMILES | Brc1ccc(C(=O)N[C@@H]2[C@]3(C(=O)N(C)c4ccccc34)CCC2)cc1.Brc1ccc(C(=O)N[C@H]2[C@@]3(C(=O)N(C)c4ccccc34)CCC2)cc1 |
| Title of publication | Visible light sensitization of benzoyl azides: cascade cyclization toward oxindoles via a non-nitrene pathway |
| Authors of publication | Bagal, Dattatraya B. B; Park, Sung-Woo; Song, Hyun-Ji; Chang, Sukbok |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 9.531 ± 0.0005 Å |
| b | 9.5367 ± 0.0004 Å |
| c | 19.5389 ± 0.0009 Å |
| α | 90° |
| β | 93.809 ± 0.002° |
| γ | 90° |
| Cell volume | 1772.05 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1562 |
| Residual factor for significantly intense reflections | 0.0818 |
| Weighted residual factors for significantly intense reflections | 0.1503 |
| Weighted residual factors for all reflections included in the refinement | 0.171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198765 (current) | 2017-07-18 | cif/ Adding structures of 7120455, 7120456 via cif-deposit CGI script. |
7120456.cif |
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Users of the data should acknowledge the original authors of the
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