Information card for entry 1556884
| Formula |
C40 H36 F6 N3 O3 P |
| Calculated formula |
C40 H36 F6 N3 O3 P |
| Title of publication |
Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region |
| Authors of publication |
Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme |
| Journal of publication |
Chemical Science |
| Year of publication |
2020 |
| Journal volume |
11 |
| Journal issue |
4 |
| Pages of publication |
1165 - 1169 |
| a |
8.20579 ± 0.00016 Å |
| b |
29.4208 ± 0.0008 Å |
| c |
16.5731 ± 0.0003 Å |
| α |
90° |
| β |
93.223 ± 0.002° |
| γ |
90° |
| Cell volume |
3994.76 ± 0.15 Å3 |
| Cell temperature |
180 ± 0.1 K |
| Ambient diffraction temperature |
180 ± 0.1 K |
| Number of distinct elements |
6 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0903 |
| Residual factor for significantly intense reflections |
0.0679 |
| Weighted residual factors for significantly intense reflections |
0.1859 |
| Weighted residual factors for all reflections included in the refinement |
0.2124 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.01 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1556884.html
