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Information card for entry 1544979
Preview
| Coordinates | 1544979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Azidocyclopentane |
|---|---|
| Formula | C24 H27 N3 O5 |
| Calculated formula | C24 H27 N3 O5 |
| SMILES | O(c1ccc([C@H]2CC([C@](N=N#N)(c3ccccc3)C2)(C(=O)OCC)C(=O)OCC)cc1)C.O(c1ccc([C@@H]2CC([C@@](N=N#N)(c3ccccc3)C2)(C(=O)OCC)C(=O)OCC)cc1)C |
| Title of publication | Lewis Acid Catalyzed Diastereoselective Cycloaddition Reactions of Donor-Acceptor Cyclopropanes and Vinyl Azides: Synthesis of Functionalized Azidocyclopentane and Tetrahydropyridine Derivatives. |
| Authors of publication | Dey, Raghunath; Banerjee, Prabal |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 2 |
| Pages of publication | 304 - 307 |
| a | 8.6521 ± 0.0003 Å |
| b | 31.6804 ± 0.0012 Å |
| c | 8.7706 ± 0.0003 Å |
| α | 90° |
| β | 106.944 ± 0.001° |
| γ | 90° |
| Cell volume | 2299.68 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.158 |
| Residual factor for significantly intense reflections | 0.0862 |
| Weighted residual factors for significantly intense reflections | 0.2005 |
| Weighted residual factors for all reflections included in the refinement | 0.2325 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1544979.cif |
| 191382 | 2017-02-04 | cif/ Updating files of 1544979 Original log message: Adding full bibliography for 1544979.cif. |
1544979.cif |
| 189779 | 2017-01-04 | cif/ Adding structures of 1544979 via cif-deposit CGI script. |
1544979.cif |
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Users of the data should acknowledge the original authors of the
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