Information card for entry 4038710
Formula |
C80 H65 N5 O10 |
Calculated formula |
C80 H65 N5 O10 |
Title of publication |
Stereochemical Inversion of Rim-Differentiated Pillar[5]arene Molecular Swings |
Authors of publication |
Du, Ke; Demay-Drouhard, Paul; Samanta, Kushal; Li, Shunshun; Thikekar, Tushar Ulhas; Wang, Haiying; Guo, Minjie; van Lagen, Barend; Zuilhof, Han; Sue, Andrew C.-H. |
Journal of publication |
The Journal of Organic Chemistry |
Year of publication |
2020 |
a |
19.4882 ± 0.00008 Å |
b |
14.12202 ± 0.00007 Å |
c |
28.65569 ± 0.00012 Å |
α |
90° |
β |
105.565 ± 0.0004° |
γ |
90° |
Cell volume |
7597.2 ± 0.06 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0512 |
Residual factor for significantly intense reflections |
0.0464 |
Weighted residual factors for significantly intense reflections |
0.1318 |
Weighted residual factors for all reflections included in the refinement |
0.1388 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.056 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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