Information card for entry 1572689
| Formula |
C28 H29 B N2 O2 |
| Calculated formula |
C28 H29 B N2 O2 |
| SMILES |
O1c2c(O[B]31[n]1c(=C(c4c(cc(cc4C)C)C)c4n3c(cc4C)C)c(cc1C)C)cccc2 |
| Title of publication |
Compact device prototype for turn-on fluorescence detection of sarin based on reactive 4,4-diaryloxy-BODIPY derivatives |
| Authors of publication |
Liu, Lu; Li, Sheng; Luo, Wendan; Yao, Jiashuang; Liu, Taihong; Qin, Molin; Huang, Zhiyan; Ding, Liping; Fang, Yu |
| Journal of publication |
Sensors & Diagnostics |
| Year of publication |
2024 |
| a |
7.7983 ± 0.0004 Å |
| b |
11.6527 ± 0.0007 Å |
| c |
13.2826 ± 0.0008 Å |
| α |
77.243 ± 0.003° |
| β |
87.408 ± 0.002° |
| γ |
86.971 ± 0.002° |
| Cell volume |
1174.87 ± 0.12 Å3 |
| Cell temperature |
268 K |
| Ambient diffraction temperature |
268 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 |
0.0627 |
| Residual factor for significantly intense reflections |
0.0456 |
| Weighted residual factors for significantly intense reflections |
0.1233 |
| Weighted residual factors for all reflections included in the refinement |
0.1412 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.069 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1572689.html
