Information card for entry 7219160
| Formula |
C32 H18 F4 N4 O4 |
| Calculated formula |
C32 H18 F4 N4 O4 |
| SMILES |
c12cccc3c2c2c(cccc2c(c1OC)OC)c(c3OC)OC.C1(=C(C(=C(C#N)C#N)C(=C(C1=C(C#N)C#N)F)F)F)F |
| Title of publication |
Charge transfer tuning by chemical substitution and uniaxial pressure in the organic complex tetramethoxypyrene-tetracyanoquinodimethane. |
| Authors of publication |
Rudloff, Milan; Ackermann, Kai; Huth, Michael; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Wolfram, Benedikt; Bröring, Martin; Bolte, Michael; Chercka, Dennis; Baumgarten, Martin; Müllen, Klaus |
| Journal of publication |
Physical chemistry chemical physics : PCCP |
| Year of publication |
2015 |
| Journal volume |
17 |
| Journal issue |
6 |
| Pages of publication |
4118 - 4126 |
| a |
6.8078 ± 0.0013 Å |
| b |
10.6592 ± 0.0018 Å |
| c |
10.84 ± 0.002 Å |
| α |
61.373 ± 0.013° |
| β |
71.958 ± 0.014° |
| γ |
84.063 ± 0.014° |
| Cell volume |
655.6 ± 0.2 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 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 |
0.0933 |
| Residual factor for significantly intense reflections |
0.0551 |
| Weighted residual factors for significantly intense reflections |
0.1247 |
| Weighted residual factors for all reflections included in the refinement |
0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.954 |
| 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/7219160.html
