Information card for entry 7127759
| Formula |
C31 H26 O2 |
| Calculated formula |
C31 H26 O2 |
| SMILES |
O/C(=C1\C(=CC(=C1)C(C)(C)C)C(=O)c1cc2c(cc1)cccc2)c1cc2c(cccc2)cc1 |
| 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 |
9.6358 ± 0.0007 Å |
| b |
10.2626 ± 0.0006 Å |
| c |
12.5875 ± 0.0008 Å |
| α |
75.48 ± 0.005° |
| β |
73.81 ± 0.006° |
| γ |
83.749 ± 0.006° |
| Cell volume |
1156.19 ± 0.14 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0631 |
| Residual factor for significantly intense reflections |
0.0498 |
| Weighted residual factors for significantly intense reflections |
0.1294 |
| Weighted residual factors for all reflections included in the refinement |
0.1374 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.036 |
| 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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The link is:
https://www.crystallography.net/7127759.html
