Information card for entry 4516874
| Formula |
C38 H32 B Cl2 F2 N3 O5 |
| Calculated formula |
C38 H32 B Cl2 F2 N3 O5 |
| Title of publication |
Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs. |
| Authors of publication |
Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan |
| Journal of publication |
ACS omega |
| Year of publication |
2017 |
| Journal volume |
2 |
| Journal issue |
6 |
| Pages of publication |
2568 - 2576 |
| a |
10.4594 ± 0.0008 Å |
| b |
12.3954 ± 0.001 Å |
| c |
26.28 ± 0.002 Å |
| α |
90° |
| β |
95.388 ± 0.001° |
| γ |
90° |
| Cell volume |
3392.1 ± 0.5 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
7 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.1113 |
| Residual factor for significantly intense reflections |
0.0824 |
| Weighted residual factors for significantly intense reflections |
0.2326 |
| Weighted residual factors for all reflections included in the refinement |
0.2571 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.082 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/4516874.html
