Information card for entry 4035005
| Formula |
C28 H16 Br2 |
| Calculated formula |
C28 H16 Br2 |
| SMILES |
Brc1cc2c(c3ccccc3cc2c2ccccc12)c1ccc(Br)c2ccccc12 |
| Title of publication |
Synthesis of a Cyclophane Bearing Two Benz[a]anthracene Units Connected at the 5 and 7 Positions with Two Naphth-1,4-diyl Groups. |
| Authors of publication |
Thakellapalli, Haresh; Farajidizaji, Behzad; Li, Shuangjiang; Heller, Josef C.; Zhang, Yu; Akhmedov, Novruz G.; Milsmann, Carsten; Petersen, Jeffrey L.; Wang, Kung K. |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2018 |
| Journal volume |
83 |
| Journal issue |
4 |
| Pages of publication |
2455 - 2459 |
| a |
9.3136 ± 0.0004 Å |
| b |
10.8927 ± 0.0005 Å |
| c |
11.7419 ± 0.0005 Å |
| α |
110.954 ± 0.0012° |
| β |
109.926 ± 0.0013° |
| γ |
97.6942 ± 0.0013° |
| Cell volume |
1000.48 ± 0.08 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 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 |
0.06 |
| Residual factor for significantly intense reflections |
0.0394 |
| Weighted residual factors for significantly intense reflections |
0.0957 |
| Weighted residual factors for all reflections included in the refinement |
0.1078 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.032 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4035005.html
