Information card for entry 1554046
| Formula |
C53 H47 N O6 |
| Calculated formula |
C53 H47 N O6 |
| Title of publication |
Unusual Chiroptical Properties of the Cryptophane-222 Skeleton. |
| Authors of publication |
Pitrat, Delphine; Daugey, Nicolas; Jean, Marion; Vanthuyne, Nicolas; Wien, Frank; Ducasse, Laurent; Calin, Nathalie; Buffeteau, Thierry; Brotin, Thierry |
| Journal of publication |
The journal of physical chemistry. B |
| Year of publication |
2016 |
| Journal volume |
120 |
| Journal issue |
49 |
| Pages of publication |
12650 - 12659 |
| a |
11.549 ± 0.005 Å |
| b |
11.549 ± 0.005 Å |
| c |
27.874 ± 0.005 Å |
| α |
90 ± 0.005° |
| β |
90 ± 0.005° |
| γ |
120 ± 0.005° |
| Cell volume |
3220 ± 2 Å3 |
| Cell temperature |
100 K |
| Ambient diffraction temperature |
100 K |
| Number of distinct elements |
4 |
| Space group number |
154 |
| Hermann-Mauguin space group symbol |
P 32 2 1 |
| Hall space group symbol |
P 32 2" |
| Residual factor for all reflections |
0.0472 |
| Residual factor for significantly intense reflections |
0.0468 |
| Weighted residual factors for significantly intense reflections |
0.1252 |
| Weighted residual factors for all reflections included in the refinement |
0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
| 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/1554046.html
