Information card for entry 7127758
| Formula |
C25 H25 B F2 O4 |
| Calculated formula |
C25 H25 B F2 O4 |
| SMILES |
[B]1(F)(F)[O]=C(c2ccc(cc2)OC)C2=CC(=CC2=C(c2ccc(cc2)OC)O1)C(C)(C)C |
| Title of publication |
Synthesis of fulvene-containing boron complexes with aggregation-induced emission and mechanochromic luminescence. |
| Authors of publication |
Yan, Cai-Xin; Lin, Qian-Qian; Li, Sha; Wu, Cheng-Juan; Li, Yan-An; Fan, Jian-Zhong; Ma, Jian-Ping; Geng, Yan; Dong, Yu-Bin |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2020 |
| Journal volume |
56 |
| Journal issue |
92 |
| Pages of publication |
14435 - 14438 |
| a |
7.813 ± 0.0006 Å |
| b |
9.3837 ± 0.0006 Å |
| c |
16.3462 ± 0.0011 Å |
| α |
101.355 ± 0.006° |
| β |
97.002 ± 0.006° |
| γ |
104.391 ± 0.006° |
| Cell volume |
1119.53 ± 0.14 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0559 |
| Residual factor for significantly intense reflections |
0.0403 |
| Weighted residual factors for significantly intense reflections |
0.1002 |
| Weighted residual factors for all reflections included in the refinement |
0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.043 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7127758.html
