Information card for entry 4123797
| Formula |
C36 H20 Br2 |
| Calculated formula |
C36 H20 Br2 |
| SMILES |
Brc1c2c3c(cc(c2c2c(c1)cccc2)c1cc2ccccc2c2c(Br)cc4ccccc4c12)cccc3 |
| Title of publication |
Toward cove-edged low band gap graphene nanoribbons. |
| Authors of publication |
Liu, Junzhi; Li, Bo-Wei; Tan, Yuan-Zhi; Giannakopoulos, Angelos; Sanchez-Sanchez, Carlos; Beljonne, David; Ruffieux, Pascal; Fasel, Roman; Feng, Xinliang; Müllen, Klaus |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2015 |
| Journal volume |
137 |
| Journal issue |
18 |
| Pages of publication |
6097 - 6103 |
| a |
9.1841 ± 0.0007 Å |
| b |
12.3092 ± 0.0009 Å |
| c |
12.8385 ± 0.0009 Å |
| α |
66.599 ± 0.005° |
| β |
74.656 ± 0.006° |
| γ |
70.773 ± 0.005° |
| Cell volume |
1242.61 ± 0.17 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 |
0.0597 |
| Residual factor for significantly intense reflections |
0.0361 |
| Weighted residual factors for significantly intense reflections |
0.0808 |
| Weighted residual factors for all reflections included in the refinement |
0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
| 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/4123797.html
