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Information card for entry 7119073
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| Coordinates | 7119073.cif |
|---|
| Formula | C26 H17 N O5 |
|---|---|
| Calculated formula | C26 H17 N O5 |
| SMILES | c12ccccc1C1=C(C(C(=O)N2)C(=O)c2ccc(cc2)OC)C(=O)c2ccccc2C1=O |
| Title of publication | Two-carbon ring expansion of isatin: a convenient construction of a dibenzo[b,d]azepinone scaffold |
| Authors of publication | Rong-Guo Shi; Xiao-Hua Wang; Ruzhang Liu; Chao-Guo Yan |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 6280 |
| a | 11.2312 ± 0.0012 Å |
| b | 16.239 ± 0.002 Å |
| c | 22.524 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4108 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1101 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184112 (current) | 2016-07-01 | cif/ Adding structures of 7119072, 7119073, 7119074, 7119075, 7119076, 7119077, 7119078, 7119079 via cif-deposit CGI script. |
7119073.cif |
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Users of the data should acknowledge the original authors of the
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