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Information card for entry 1555479
Preview
| Coordinates | 1555479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H8 Br2 N2 |
|---|---|
| Calculated formula | C24 H18 Br2 N2 |
| SMILES | c12c(cc(cc1cc1c(CC(C)(c3ccccc3)Nc3c1cccc3)n2)Br)Br |
| Title of publication | Synthesis of Quinoline-Fused 1-Benzazepines through a Mannich-Type Reaction of a C,N-Bisnucleophile Generated from 2-Aminobenzaldehyde and 2-Methylindole. |
| Authors of publication | Min, Lijun; Pan, Bin; Gu, Yanlong |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 3 |
| Pages of publication | 364 - 367 |
| a | 11.5512 ± 0.0017 Å |
| b | 7.5173 ± 0.0011 Å |
| c | 22.879 ± 0.003 Å |
| α | 90° |
| β | 91.554 ± 0.004° |
| γ | 90° |
| Cell volume | 1985.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1359 |
| Residual factor for significantly intense reflections | 0.0835 |
| Weighted residual factors for significantly intense reflections | 0.1416 |
| Weighted residual factors for all reflections included in the refinement | 0.1596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238760 (current) | 2019-11-24 | cif/ Adding structures of 1555479 via cif-deposit CGI script. |
1555479.cif |
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Users of the data should acknowledge the original authors of the
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