Information card for entry 7241109
| Formula |
C48 H52 O12 |
| Calculated formula |
C48 H52 O12 |
| Title of publication |
Counterintuitive torsional barriers controlled by hydrogen bonding. |
| Authors of publication |
Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric |
| Journal of publication |
Physical chemistry chemical physics : PCCP |
| Year of publication |
2020 |
| Journal volume |
22 |
| Journal issue |
36 |
| Pages of publication |
20602 - 20611 |
| a |
9.6496 ± 0.0005 Å |
| b |
12.0424 ± 0.0008 Å |
| c |
19.8345 ± 0.0013 Å |
| α |
81.278 ± 0.002° |
| β |
82.463 ± 0.002° |
| γ |
70.074 ± 0.002° |
| Cell volume |
2134 ± 0.2 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 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 |
0.0631 |
| Residual factor for significantly intense reflections |
0.0457 |
| Weighted residual factors for significantly intense reflections |
0.1208 |
| Weighted residual factors for all reflections included in the refinement |
0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.007 |
| 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/7241109.html
