Information card for entry 7009431
| Formula |
C27 H21 F6 N4 P |
| Calculated formula |
C27 H21 F6 N4 P |
| SMILES |
n1ccccc1c1nc(cc(c1)c1cc[n+](cc1)Cc1ccccc1)c1ncccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication |
Development of supramolecular structure through alkylation of pendant pyridyl functionality |
| Authors of publication |
Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Phillips, David; Raithby, Paul R.; Schofield, Emma; Sparr, Emma; Tocher, Derek A.; Zehnder, Margareta; Zimmermann, Yves |
| Journal of publication |
Journal of the Chemical Society, Dalton Transactions |
| Year of publication |
2000 |
| Journal issue |
13 |
| Pages of publication |
2219 |
| a |
10.1186 ± 0.0003 Å |
| b |
10.4515 ± 0.0002 Å |
| c |
13.5992 ± 0.0005 Å |
| α |
110.415 ± 0.002° |
| β |
94.794 ± 0.002° |
| γ |
107.592 ± 0.002° |
| Cell volume |
1255.73 ± 0.07 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for significantly intense reflections |
0.0623 |
| Weighted residual factors for significantly intense reflections |
0.0812 |
| Goodness-of-fit parameter for significantly intense reflections |
0.929 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7009431.html
