Information card for entry 7202969
| Common name |
1,4,7,10-tetra(n-butyl)tetracene, form B |
| Formula |
C34 H44 |
| Calculated formula |
C34 H44 |
| SMILES |
c1(c2cc3c(cc4c(ccc(c4c3)CCCC)CCCC)cc2c(cc1)CCCC)CCCC |
| Title of publication |
Conformational polymorphism and optical properties in the solid state of 1,4,7,10-tetra(n-butyl)tetracene |
| Authors of publication |
Kitamura, Chitoshi; Ohara, Takuya; Kawatsuki, Nobuhiro; Yoneda, Akio; Kobayashi, Takashi; Naito, Hiroyoshi; Komatsu, Toshiki; Kitamura, Teruo |
| Journal of publication |
CrystEngComm |
| Year of publication |
2007 |
| Journal volume |
9 |
| Journal issue |
8 |
| Pages of publication |
644 |
| a |
5.392 ± 0.006 Å |
| b |
8.66 ± 0.01 Å |
| c |
15.19 ± 0.02 Å |
| α |
101.41 ± 0.03° |
| β |
98.8 ± 0.04° |
| γ |
99.35 ± 0.06° |
| Cell volume |
673.4 ± 1.4 Å3 |
| Cell temperature |
223.2 K |
| Number of distinct elements |
2 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for significantly intense reflections |
0.0845 |
| Weighted residual factors for all reflections included in the refinement |
0.2089 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.797 |
| Diffraction radiation wavelength |
0.7107 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7202969.html
