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Information card for entry 1534097
Preview
| Coordinates | 1534097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H21 N O4 |
|---|---|
| Calculated formula | C27 H21 N O4 |
| SMILES | O=C(OCC)c1c2c(n3ccccc13)cc(c1c2cccc1)C(=O)c1ccc(OC)cc1 |
| Title of publication | Deformylative Intramolecular Hydroarylation: Synthesis of Benzo[e]pyrido[1,2-a]indoles. |
| Authors of publication | Jung, Youngeun; Kim, Ikyon |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 4600 - 4603 |
| a | 11.7836 ± 0.0012 Å |
| b | 8.1908 ± 0.0007 Å |
| c | 21.1196 ± 0.0019 Å |
| α | 90° |
| β | 92.216 ± 0.004° |
| γ | 90° |
| Cell volume | 2036.9 ± 0.3 Å3 |
| Cell temperature | 99.9 K |
| Ambient diffraction temperature | 99.9 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 | 0.0479 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 160450 (current) | 2015-10-06 | cif/ Adding structures of 1534097 via cif-deposit CGI script. |
1534097.cif |
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