Information card for entry 4515968
| Formula |
C27 H18 F2 N2 |
| Calculated formula |
C27 H18 F2 N2 |
| SMILES |
Fc1cc(/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C#N)cc(F)c1 |
| Title of publication |
Distinct Mechanoresponsive Luminescence, Thermochromism, Vapochromism, and Chlorine Gas Sensing by a Solid-State Organic Emitter. |
| Authors of publication |
Adak, Anirban; Panda, Tamas; Raveendran, Anju; Bejoymohandas, Kochan Sathyaseelan; Asha, K. S.; Prakasham, A. P.; Mukhopadhyay, Balaram; Panda, Manas K. |
| Journal of publication |
ACS omega |
| Year of publication |
2018 |
| Journal volume |
3 |
| Journal issue |
5 |
| Pages of publication |
5291 - 5300 |
| a |
9.8032 ± 0.0002 Å |
| b |
10.2942 ± 0.0003 Å |
| c |
32.2199 ± 0.0008 Å |
| α |
84.987 ± 0.001° |
| β |
82.061 ± 0.001° |
| γ |
79.035 ± 0.001° |
| Cell volume |
3155.3 ± 0.14 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.1529 |
| Residual factor for significantly intense reflections |
0.0539 |
| Weighted residual factors for significantly intense reflections |
0.1244 |
| Weighted residual factors for all reflections included in the refinement |
0.1686 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.006 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4515968.html
