Information card for entry 4034301
| Formula |
C25 H14 Br N |
| Calculated formula |
C25 H14 Br N |
| SMILES |
Brc1nc2ccc3ccc4ccc5ccc6ccccc6c5c4c3c2cc1 |
| Title of publication |
Bis-4-aza[6]helicene: A Bis-helicenic 2,2'-Bipyridine with Chemically Triggered Chiroptical Switching Activity. |
| Authors of publication |
Isla, Helena; Saleh, Nidal; Ou-Yang, Jiang-Kun; Dhbaibi, Kais; Jean, Marion; Dziurka, Magdalena; Favereau, Ludovic; Vanthuyne, Nicolas; Toupet, Loïc; Jamoussi, Bassem; Srebro-Hooper, Monika; Crassous, Jeanne |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2019 |
| Journal volume |
84 |
| Journal issue |
9 |
| Pages of publication |
5383 - 5393 |
| a |
7.3364 ± 0.0007 Å |
| b |
10.965 ± 0.002 Å |
| c |
11.768 ± 0.001 Å |
| α |
98.74 ± 0.01° |
| β |
102.07 ± 0.01° |
| γ |
105.12 ± 0.01° |
| Cell volume |
872 ± 0.2 Å3 |
| Cell temperature |
140 ± 2 K |
| Ambient diffraction temperature |
140 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0563 |
| Residual factor for significantly intense reflections |
0.0462 |
| Weighted residual factors for significantly intense reflections |
0.1257 |
| Weighted residual factors for all reflections included in the refinement |
0.1311 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.211 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/4034301.html
