Information card for entry 7122279
| Formula |
C30 H22 F8 I4 N2 O2 |
| Calculated formula |
C30 H22 F8 I4 N2 O2 |
| Title of publication |
A halogen bond-donor amino acid for organocatalysis in water. |
| Authors of publication |
Bergamaschi, Greta; Lascialfari, Luisa; Pizzi, Andrea; Martinez Espinoza, Maria Isabel; Demitri, Nicola; Milani, Alberto; Gori, Alessandro; Metrangolo, Pierangelo |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2018 |
| Journal volume |
54 |
| Journal issue |
76 |
| Pages of publication |
10718 - 10721 |
| a |
16.6735 ± 0.0004 Å |
| b |
7.2738 ± 0.0002 Å |
| c |
29.148 ± 0.0007 Å |
| α |
90° |
| β |
96.23 ± 0.001° |
| γ |
90° |
| Cell volume |
3514.18 ± 0.15 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
6 |
| 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 |
0.0724 |
| Residual factor for significantly intense reflections |
0.0353 |
| Weighted residual factors for significantly intense reflections |
0.073 |
| Weighted residual factors for all reflections included in the refinement |
0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.001 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7122279.html
