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Information card for entry 1555387
Preview
| Coordinates | 1555387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H42 N4 O6 |
|---|---|
| Calculated formula | C37 H42 N4 O6 |
| SMILES | C(NC(=O)[C@@H]1CCCN1C(=O)N(C1C=CCC=C1)NC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.O(CC)C(=O)C |
| 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 | 7.8202 ± 0.0005 Å |
| b | 15.433 ± 0.0009 Å |
| c | 28.4386 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3432.2 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1225 |
| Weighted residual factors for all reflections included in the refinement | 0.1248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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 |
|---|---|---|---|
| 238595 (current) | 2019-11-24 | cif/ Adding structures of 1555387 via cif-deposit CGI script. |
1555387.cif |
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Users of the data should acknowledge the original authors of the
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