Information card for entry 7211435
| Formula |
C21 H16 F2 O3 |
| Calculated formula |
C21 H16 F2 O3 |
| SMILES |
c1(ccc(F)cc1)c1cc(O)c(C(=O)OCC)c(c1)c1ccc(F)cc1 |
| Title of publication |
Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives |
| Authors of publication |
Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej |
| Journal of publication |
CrystEngComm |
| Year of publication |
2013 |
| Journal volume |
15 |
| Journal issue |
46 |
| Pages of publication |
9893 |
| a |
7.3019 ± 0.0006 Å |
| b |
10.2526 ± 0.0009 Å |
| c |
13.043 ± 0.001 Å |
| α |
94.613 ± 0.007° |
| β |
103.996 ± 0.007° |
| γ |
110.709 ± 0.008° |
| Cell volume |
871.3 ± 0.14 Å3 |
| Cell temperature |
295 ± 2 K |
| Ambient diffraction temperature |
295 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0744 |
| Residual factor for significantly intense reflections |
0.0497 |
| Weighted residual factors for significantly intense reflections |
0.1161 |
| Weighted residual factors for all reflections included in the refinement |
0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.047 |
| 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/7211435.html
