Information card for entry 4038746
| Formula |
C28 H24 Br Cl2 N O2 |
| Calculated formula |
C28 H24 Br Cl2 N O2 |
| SMILES |
Brc1ccc2c3c(N(CCC)c4cccc5Oc6c(C3c45)c(OC)ccc6)ccc2c1.ClCCl |
| Title of publication |
Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes. |
| Authors of publication |
Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2020 |
| Journal volume |
85 |
| Journal issue |
18 |
| Pages of publication |
11908 - 11923 |
| a |
9.9075 ± 0.0007 Å |
| b |
11.5025 ± 0.0007 Å |
| c |
12.5629 ± 0.0008 Å |
| α |
110.42 ± 0.006° |
| β |
95.401 ± 0.005° |
| γ |
112.56 ± 0.006° |
| Cell volume |
1195.28 ± 0.17 Å3 |
| Cell temperature |
180 ± 0.1 K |
| Ambient diffraction temperature |
180 ± 0.1 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0509 |
| Residual factor for significantly intense reflections |
0.0496 |
| Weighted residual factors for significantly intense reflections |
0.1321 |
| Weighted residual factors for all reflections included in the refinement |
0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.056 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4038746.html
