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Information card for entry 4117091
Preview
| Coordinates | 4117091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H27 N |
|---|---|
| Calculated formula | C34 H27 N |
| Title of publication | Novel Photorearrangements of 2-Aza-1,4-dienes To Produce Vinylaziridines and Cyclopropylimines |
| Authors of publication | Diego Armesto; Olga Caballero; Ulises Amador |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1997 |
| Journal volume | 119 |
| Pages of publication | 12659 - 12660 |
| a | 10.843 ± 0.002 Å |
| b | 11.223 ± 0.005 Å |
| c | 11.654 ± 0.003 Å |
| α | 99.64 ± 0.03° |
| β | 96.75 ± 0.02° |
| γ | 111.05 ± 0.03° |
| Cell volume | 1280.3 ± 0.8 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections included in the refinement | 0.04 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.47 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | Mo(Kalpha) |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4117091.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4117091.cif |
| 73521 | 2013-02-20 | cif/ Adding structures of 4117091 via cif-deposit CGI script. |
4117091.cif |
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Users of the data should acknowledge the original authors of the
structural data.