Information card for entry 1546530
| Formula |
C40 H40 |
| Calculated formula |
C40 H40 |
| SMILES |
c1cc(cc2cc3c4ccccc4c4cc5cc(ccc5c5ccc(c12)c3c45)CCCCCC)CCCCCC |
| Title of publication |
Synthesis of Dibenzo[h,rst]pentaphenes and Dibenzo[fg,qr]pentacenes by the Chemoselective C–O Arylation of Dimethoxyanthraquinones |
| Authors of publication |
Suzuki, Yusuke; Yamada, Kohei; Watanabe, Kentaro; Kochi, Takuya; Ie, Yutaka; Aso, Yoshio; Kakiuchi, Fumitoshi |
| Journal of publication |
Organic Letters |
| Year of publication |
2017 |
| a |
9.7034 ± 0.0014 Å |
| b |
11.4834 ± 0.0018 Å |
| c |
12.9123 ± 0.0017 Å |
| α |
91.785 ± 0.003° |
| β |
100.949 ± 0.003° |
| γ |
98.523 ± 0.003° |
| Cell volume |
1394.4 ± 0.3 Å3 |
| Cell temperature |
93 ± 2 K |
| Ambient diffraction temperature |
93 ± 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 all reflections |
0.1086 |
| Residual factor for significantly intense reflections |
0.0571 |
| Weighted residual factors for significantly intense reflections |
0.1744 |
| Weighted residual factors for all reflections included in the refinement |
0.2128 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.976 |
| Diffraction radiation wavelength |
0.71075 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/1546530.html
