Information card for entry 4516876
| Formula |
C41 H36 B F2 N3 O6 |
| Calculated formula |
C41 H36 B F2 N3 O6 |
| 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 |
11.441 ± 0.012 Å |
| b |
12.524 ± 0.013 Å |
| c |
13.818 ± 0.014 Å |
| α |
95.751 ± 0.013° |
| β |
90.47 ± 0.012° |
| γ |
107.762 ± 0.011° |
| Cell volume |
1874 ± 3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.2106 |
| Residual factor for significantly intense reflections |
0.1117 |
| Weighted residual factors for significantly intense reflections |
0.2655 |
| Weighted residual factors for all reflections included in the refinement |
0.3285 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.007 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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