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Information card for entry 1555388
Preview
| Coordinates | 1555388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H34 N4 O4 |
|---|---|
| Calculated formula | C34 H34 N4 O4 |
| SMILES | C(NC(=O)[C@H]1N(C(=O)NN(C(=O)OCc2ccccc2)C2C=CC=CC=C2)CCC1)(c1ccccc1)c1ccccc1 |
| Title of publication | Azopeptides: Synthesis and Pericyclic Chemistry. |
| Authors of publication | Chingle, Ramesh; Lubell, William D. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5400 - 5403 |
| a | 10.2983 ± 0.0004 Å |
| b | 10.6899 ± 0.0005 Å |
| c | 13.1072 ± 0.0006 Å |
| α | 90° |
| β | 94.794 ± 0.003° |
| γ | 90° |
| Cell volume | 1437.89 ± 0.11 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238597 (current) | 2019-11-24 | cif/ Adding structures of 1555388 via cif-deposit CGI script. |
1555388.cif |
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