Information card for entry 4038021
| Formula |
C21 H13 N |
| Calculated formula |
C21 H13 N |
| SMILES |
c12c3c4ccc2cc(c2ccccn2)cc1ccc3ccc4 |
| Title of publication |
Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties. |
| Authors of publication |
Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B. |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2020 |
| Journal volume |
85 |
| Journal issue |
6 |
| Pages of publication |
4256 - 4266 |
| a |
4.623 ± 0.005 Å |
| b |
22.358 ± 0.005 Å |
| c |
13.545 ± 0.005 Å |
| α |
90 ± 0.005° |
| β |
96.486 ± 0.005° |
| γ |
90 ± 0.005° |
| Cell volume |
1391.1 ± 1.6 Å3 |
| Cell temperature |
297 ± 2 K |
| Ambient diffraction temperature |
297 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.1083 |
| Residual factor for significantly intense reflections |
0.0532 |
| Weighted residual factors for significantly intense reflections |
0.1479 |
| Weighted residual factors for all reflections included in the refinement |
0.1866 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.026 |
| Diffraction radiation wavelength |
0.71069 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/4038021.html
