Information card for entry 4038028
| Formula |
C13 H8 N |
| Calculated formula |
C13 H8 N |
| 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 |
12.53 ± 0.003 Å |
| b |
10.289 ± 0.002 Å |
| c |
13.803 ± 0.003 Å |
| α |
90° |
| β |
104.918 ± 0.014° |
| γ |
90° |
| Cell volume |
1719.5 ± 0.7 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.1348 |
| Residual factor for significantly intense reflections |
0.1154 |
| Weighted residual factors for significantly intense reflections |
0.3096 |
| Weighted residual factors for all reflections included in the refinement |
0.3471 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.496 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4038028.html
