Information card for entry 2234789
Chemical name |
<i>N</i>-(3,4-Difluorophenyl)-2,2-diphenylacetamide |
Formula |
C20 H15 F2 N O |
Calculated formula |
C20 H15 F2 N O |
SMILES |
O=C(C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)F)F |
Title of publication |
<i>N</i>-(3,4-Difluorophenyl)-2,2-diphenylacetamide |
Authors of publication |
Fun, Hoong-Kun; Ooi, Chin Wei; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
5 |
Pages of publication |
o1349 - o1350 |
a |
9.9756 ± 0.0002 Å |
b |
18.0181 ± 0.0003 Å |
c |
9.8107 ± 0.0002 Å |
α |
90° |
β |
117.064 ± 0.001° |
γ |
90° |
Cell volume |
1570.3 ± 0.05 Å3 |
Cell temperature |
100 ± 1 K |
Ambient diffraction temperature |
100 ± 1 K |
Number of distinct elements |
5 |
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 |
0.0697 |
Residual factor for significantly intense reflections |
0.0518 |
Weighted residual factors for significantly intense reflections |
0.1198 |
Weighted residual factors for all reflections included in the refinement |
0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.026 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2234789.html