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Information card for entry 7120455
Preview
| Coordinates | 7120455.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 N2 O3 |
|---|---|
| Calculated formula | C19 H20 N2 O3 |
| SMILES | C(=O)(c1ccc(cc1)OC)NCC1(C(=O)N(c2ccccc12)C)C |
| 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 | 17.4957 ± 0.0004 Å |
| b | 13.0591 ± 0.0004 Å |
| c | 16.2596 ± 0.0005 Å |
| α | 90° |
| β | 113.447 ± 0.0011° |
| γ | 90° |
| Cell volume | 3408.21 ± 0.17 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 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 | 0.0621 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
7120455.cif |
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Users of the data should acknowledge the original authors of the
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