Information card for entry 4033797
| Formula |
C41 H28 N4 O3 |
| Calculated formula |
C41 H28 N4 O3 |
| SMILES |
O1COc2ccc3CCc4cc5ccc6cccnc6c5nc4c3c2c2c3c4nc5c6ncccc6ccc5cc4CCc3ccc12.O |
| Title of publication |
Modulation of Chiroptical Properties in a Series of Helicene-like Compounds. |
| Authors of publication |
Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2019 |
| Journal volume |
84 |
| Journal issue |
17 |
| Pages of publication |
10870 - 10876 |
| a |
10.928 ± 0.0002 Å |
| b |
12.6925 ± 0.0002 Å |
| c |
11.194 ± 0.0002 Å |
| α |
90° |
| β |
106.253 ± 0.002° |
| γ |
90° |
| Cell volume |
1490.6 ± 0.05 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
4 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0609 |
| Residual factor for significantly intense reflections |
0.0453 |
| Weighted residual factors for significantly intense reflections |
0.0801 |
| Weighted residual factors for all reflections included in the refinement |
0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.057 |
| Diffraction radiation probe |
x-ray |
| 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/4033797.html
