Information card for entry 7124970
| Formula |
C46 H38 Cl2 N6 |
| Calculated formula |
C46 H38 Cl2 N6 |
| Title of publication |
Bowl-shaped Tröger's bases and their recognition properties. |
| Authors of publication |
Mosca, Lorenzo; Čejka, Jan; Dolenský, Bohumil; Havlík, Martin; Jakubek, Milan; Kaplánek, Robert; Král, Vladimír; Anzenbacher, Pavel |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2016 |
| Journal volume |
52 |
| Journal issue |
70 |
| Pages of publication |
10664 - 10667 |
| a |
17.9422 ± 0.0014 Å |
| b |
18.3629 ± 0.0016 Å |
| c |
20.9128 ± 0.0013 Å |
| α |
107.088 ± 0.007° |
| β |
100.483 ± 0.006° |
| γ |
116.305 ± 0.008° |
| Cell volume |
5498.3 ± 1 Å3 |
| Cell temperature |
190 K |
| Ambient diffraction temperature |
190 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 |
0.1479 |
| Residual factor for significantly intense reflections |
0.0951 |
| Weighted residual factors for all reflections |
0.2544 |
| Weighted residual factors for significantly intense reflections |
0.1854 |
| Weighted residual factors for all reflections included in the refinement |
0.2526 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0114 |
| Diffraction radiation wavelength |
1.5418 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7124970.html
