Information card for entry 1557927
| Formula |
C14 H14 |
| Calculated formula |
C14 H14 |
| SMILES |
c1(c(cc(cc1C)C)C)C#CC#CC |
| Title of publication |
Expedient synthesis of conjugated triynes via alkyne metathesis |
| Authors of publication |
Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc |
| Journal of publication |
Chemical Science |
| Year of publication |
2020 |
| Journal volume |
11 |
| Journal issue |
19 |
| Pages of publication |
4934 - 4938 |
| a |
7.5855 ± 0.0009 Å |
| b |
8.3989 ± 0.0011 Å |
| c |
17.377 ± 0.002 Å |
| α |
90.902 ± 0.005° |
| β |
91.564 ± 0.005° |
| γ |
91.339 ± 0.004° |
| Cell volume |
1106.2 ± 0.2 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
2 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0605 |
| Residual factor for significantly intense reflections |
0.0506 |
| Weighted residual factors for significantly intense reflections |
0.1353 |
| Weighted residual factors for all reflections included in the refinement |
0.142 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.049 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1557927.html
