Information card for entry 2217300
Chemical name |
(E)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethyl-N,N- diphenylcyclopropanecarboxamide |
Formula |
C21 H19 Cl F3 N O |
Calculated formula |
C21 H19 Cl F3 N O |
SMILES |
O=C(N(c1ccccc1)c1ccccc1)[C@H]1[C@H](C1(C)C)/C=C(/C(F)(F)F)Cl.O=C(N(c1ccccc1)c1ccccc1)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)Cl |
Title of publication |
(<i>E</i>)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethyl-<i>N</i>,<i>N</i>-diphenylcyclopropanecarboxamide |
Authors of publication |
Yan, Fan-Yong; Liu, Dong-Qing |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
1 |
Pages of publication |
o18 - o18 |
a |
9.247 ± 0.006 Å |
b |
21.443 ± 0.014 Å |
c |
10.025 ± 0.007 Å |
α |
90° |
β |
99.068 ± 0.011° |
γ |
90° |
Cell volume |
1963 ± 2 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 2 K |
Number of distinct elements |
6 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0867 |
Residual factor for significantly intense reflections |
0.0415 |
Weighted residual factors for significantly intense reflections |
0.0964 |
Weighted residual factors for all reflections included in the refinement |
0.1187 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.004 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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