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Information card for entry 7242157
Preview
| Coordinates | 7242157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | trans-4-stilbazole hexafluorophosphate |
|---|---|
| Formula | C26 H23 F6 N2 P |
| Calculated formula | C26 H23 F6 N2 P |
| Title of publication | Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation–π interactions support a cascade-like photodimerization of a 4-stilbazole |
| Authors of publication | Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 5 |
| Pages of publication | 1071 - 1074 |
| a | 10.8408 ± 0.0011 Å |
| b | 11.1512 ± 0.0011 Å |
| c | 11.3568 ± 0.0011 Å |
| α | 84.292 ± 0.005° |
| β | 75.957 ± 0.005° |
| γ | 69.533 ± 0.005° |
| Cell volume | 1247.6 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 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 | 0.0889 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1465 |
| Weighted residual factors for all reflections included in the refinement | 0.1637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242157.cif |
| 262571 | 2021-03-05 | cif/ Updating files of 7242157, 7242158, 7242159 Original log message: Adding full bibliography for 7242157--7242159.cif. |
7242157.cif |
| 261164 | 2021-01-23 | cif/ Adding structures of 7242157, 7242158, 7242159 via cif-deposit CGI script. |
7242157.cif |
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Users of the data should acknowledge the original authors of the
structural data.