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Information card for entry 4124608
Preview
| Coordinates | 4124608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H17 N O5 |
|---|---|
| Calculated formula | C20 H17 N O5 |
| SMILES | O=N(=O)c1cc2cc(c(cc2cc1)COc1ccccc1)C(=O)OCC |
| Title of publication | Phosphine-Mediated Iterative Arene Homologation Using Allenes. |
| Authors of publication | Zhang, Kui; Cai, Lingchao; Jiang, Xing; Garcia-Garibay, Miguel A; Kwon, Ohyun |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 35 |
| Pages of publication | 11258 - 11261 |
| a | 12.0823 ± 0.0004 Å |
| b | 5.4689 ± 0.0002 Å |
| c | 24.7977 ± 0.0009 Å |
| α | 90° |
| β | 100.248 ± 0.002° |
| γ | 90° |
| Cell volume | 1612.41 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0419 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 159602 (current) | 2015-10-05 | cif/ Adding structures of 4124608 via cif-deposit CGI script. |
4124608.cif |
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