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Information card for entry 1555386
Preview
| Coordinates | 1555386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H24 N4 O4 |
|---|---|
| Calculated formula | C25 H24 N4 O4 |
| SMILES | O=C(NC(c1ccccc1)c1ccccc1)CN(C)C(=O)/N=N/C(=O)OCc1ccccc1 |
| 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 | 8.7914 ± 0.0004 Å |
| b | 22.2498 ± 0.0011 Å |
| c | 11.9566 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2338.79 ± 0.19 Å3 |
| Cell temperature | 105 K |
| Ambient diffraction temperature | 105 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238593 (current) | 2019-11-24 | cif/ Adding structures of 1555386 via cif-deposit CGI script. |
1555386.cif |
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Users of the data should acknowledge the original authors of the
structural data.