Information card for entry 7239483
| Formula |
C40 H50 N2 O2 S4 |
| Calculated formula |
C40 H44 N2 O2 S4 |
| Title of publication |
Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures |
| Authors of publication |
Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro |
| Journal of publication |
RSC Advances |
| Year of publication |
2014 |
| Journal volume |
4 |
| Journal issue |
19 |
| Pages of publication |
9608 |
| a |
10.019 ± 0.005 Å |
| b |
15.041 ± 0.007 Å |
| c |
13.613 ± 0.007 Å |
| α |
90° |
| β |
103.487 ± 0.013° |
| γ |
90° |
| Cell volume |
1994.8 ± 1.7 Å3 |
| Cell temperature |
113 K |
| Ambient diffraction temperature |
113 K |
| Number of distinct elements |
5 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.1132 |
| Residual factor for significantly intense reflections |
0.0903 |
| Weighted residual factors for significantly intense reflections |
0.237 |
| Weighted residual factors for all reflections included in the refinement |
0.2547 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.122 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7239483.html
