Information card for entry 4131008
| Formula |
C46 H24 B2 O4 |
| Calculated formula |
C46 H24 B2 O4 |
| SMILES |
B12Oc3ccc4ccccc4c3c3c1c(c1c4ccccc4ccc1O2)c1c2c(OB4c1c3c1c3ccccc3ccc1O4)ccc1ccccc21 |
| Title of publication |
Synthesis, Structure, and Chiroptical Properties of a Double [7]Heterohelicene. |
| Authors of publication |
Wang, Xiao-Ye; Wang, Xin-Chang; Narita, Akimitsu; Wagner, Manfred; Cao, Xiao-Yu; Feng, Xinliang; Müllen, Klaus |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2016 |
| Journal volume |
138 |
| Journal issue |
39 |
| Pages of publication |
12783 - 12786 |
| a |
8.7409 ± 0.0005 Å |
| b |
10.9925 ± 0.0006 Å |
| c |
17.4245 ± 0.001 Å |
| α |
106.582 ± 0.004° |
| β |
94.206 ± 0.005° |
| γ |
97.026 ± 0.005° |
| Cell volume |
1582.2 ± 0.16 Å3 |
| Cell temperature |
193 ± 2 K |
| Ambient diffraction temperature |
193 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0865 |
| Residual factor for significantly intense reflections |
0.0479 |
| Weighted residual factors for significantly intense reflections |
0.1153 |
| Weighted residual factors for all reflections included in the refinement |
0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
| 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/4131008.html
