Information card for entry 7202409
Chemical name |
bis[N-(3-pyridyl)acetamide], 1,4-diiodotetrafluorobenzene |
Formula |
C20 H16 F4 I2 N4 O2 |
Calculated formula |
C20 H16 F4 I2 N4 O2 |
SMILES |
Ic1c(F)c(F)c(I)c(F)c1F.n1cc(NC(=O)C)ccc1.n1cc(NC(=O)C)ccc1 |
Title of publication |
Ten years of co-crystal synthesis; the good, the bad, and the ugly |
Authors of publication |
Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate |
Journal of publication |
CrystEngComm |
Year of publication |
2008 |
Journal volume |
10 |
Journal issue |
12 |
Pages of publication |
1816 |
a |
4.2616 ± 0.0009 Å |
b |
29.232 ± 0.006 Å |
c |
17.734 ± 0.004 Å |
α |
90° |
β |
90.86 ± 0.004° |
γ |
90° |
Cell volume |
2209 ± 0.8 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 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 |
0.0651 |
Residual factor for significantly intense reflections |
0.0578 |
Weighted residual factors for significantly intense reflections |
0.1255 |
Weighted residual factors for all reflections included in the refinement |
0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.15 |
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/7202409.html