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Information card for entry 7156274
Preview
| Coordinates | 7156274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H24 N2 O5 S |
|---|---|
| Calculated formula | C26 H24 N2 O5 S |
| Title of publication | On the dual reactivity of a Janus-type mesoionic dipole: experiments and theoretical validation. |
| Authors of publication | de la Concepción, Juan García; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2018 |
| Journal volume | 16 |
| Journal issue | 26 |
| Pages of publication | 4778 - 4783 |
| a | 10.5259 ± 0.0011 Å |
| b | 10.5345 ± 0.0011 Å |
| c | 10.834 ± 0.0011 Å |
| α | 91.068 ± 0.006° |
| β | 104.536 ± 0.007° |
| γ | 100.359 ± 0.007° |
| Cell volume | 1141.4 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1098 |
| Residual factor for significantly intense reflections | 0.0839 |
| Weighted residual factors for significantly intense reflections | 0.2221 |
| Weighted residual factors for all reflections included in the refinement | 0.2507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7156274.html
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Users of the data should acknowledge the original authors of the
structural data.