Information card for entry 4130550
| Formula |
C54 H40 Cl2 |
| Calculated formula |
C54 H40 Cl2 |
| Title of publication |
Fused Dibenzo[a,m]rubicene: A New Bowl-Shaped Subunit of C70 Containing Two Pentagons. |
| Authors of publication |
Liu, Junzhi; Osella, Silvio; Ma, Ji; Berger, Reinhard; Beljonne, David; Schollmeyer, Dieter; Feng, Xinliang; Müllen, Klaus |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2016 |
| Journal volume |
138 |
| Journal issue |
27 |
| Pages of publication |
8364 - 8367 |
| a |
11.7932 ± 0.0007 Å |
| b |
18.2962 ± 0.001 Å |
| c |
20.0268 ± 0.0012 Å |
| α |
107.388 ± 0.004° |
| β |
93.328 ± 0.005° |
| γ |
96.709 ± 0.004° |
| Cell volume |
4075.7 ± 0.4 Å3 |
| Cell temperature |
193 ± 2 K |
| Ambient diffraction temperature |
193 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1705 |
| Residual factor for significantly intense reflections |
0.0688 |
| Weighted residual factors for significantly intense reflections |
0.1638 |
| Weighted residual factors for all reflections included in the refinement |
0.2249 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.858 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/4130550.html
