Information card for entry 7121484
| Common name |
Ts-Qx-TTF-pyrrole,2MSA |
| Chemical name |
2-(5H-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene)-6,7-bis(2,5-dimethylthiophen-3-yl)-[1,3]dithiolo[4,5-g]quinoxaline |
| Formula |
C36 H34 Cl3 N3 O8 S9 |
| Calculated formula |
C36 H34 Cl3 N3 O8 S9 |
| Title of publication |
Electrochemical amphotericity and NIR absorption induced via the step-wise protonation of fused quinoxaline-tetrathiafulvalene-pyrroles. |
| Authors of publication |
Park, Jung Su; Tran, Trang Thu; Kim, Jongmin; Sessler, Jonathan L. |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2018 |
| Journal volume |
54 |
| Journal issue |
36 |
| Pages of publication |
4553 - 4556 |
| a |
10.8535 ± 0.0003 Å |
| b |
12.4996 ± 0.0004 Å |
| c |
18.2429 ± 0.0005 Å |
| α |
109.371 ± 0.0012° |
| β |
93.9288 ± 0.0012° |
| γ |
103.089 ± 0.0013° |
| Cell volume |
2246.2 ± 0.12 Å3 |
| Cell temperature |
223 ± 2 K |
| Ambient diffraction temperature |
223 ± 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 |
0.0806 |
| Residual factor for significantly intense reflections |
0.0695 |
| Weighted residual factors for significantly intense reflections |
0.199 |
| Weighted residual factors for all reflections included in the refinement |
0.231 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.087 |
| Diffraction radiation wavelength |
1.54178 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/7121484.html
