Information card for entry 7228320
Formula |
C63 H71 Br0.5 Na0.5 O13 P3 S |
Calculated formula |
C63 H69 Br0.5 Na0.5 O13 P3 S |
Title of publication |
Enantiospecific recognition of 2-butanol by an inherently chiral cavitand in the solid state |
Authors of publication |
Pinalli, Roberta; Brancatelli, Giovanna; Nicosia, Carlo; Barboza, Tahnie; Guy, Laure; Dutasta, Jean-Pierre; De Zorzi, Rita; Demitri, Nicola; Dalcanale, Enrico; Geremia, Silvano |
Journal of publication |
CrystEngComm |
Year of publication |
2017 |
a |
22.736 ± 0.001 Å |
b |
21.619 ± 0.002 Å |
c |
14.974 ± 0.001 Å |
α |
90° |
β |
121.769 ± 0.002° |
γ |
90° |
Cell volume |
6257.4 ± 0.8 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
7 |
Space group number |
5 |
Hermann-Mauguin space group symbol |
C 1 2 1 |
Hall space group symbol |
C 2y |
Residual factor for all reflections |
0.0824 |
Residual factor for significantly intense reflections |
0.062 |
Weighted residual factors for significantly intense reflections |
0.165 |
Weighted residual factors for all reflections included in the refinement |
0.1825 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.02 |
Diffraction radiation wavelength |
0.7 Å |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7228320.html