Information card for entry 2220272
Chemical name |
<i>N</i>,<i>N</i>'-Bis(2,2,3,3,4,4,4-heptafluorobutyl)naphthalene-1,4:5,8- tetracarboximide |
Formula |
C22 H8 F14 N2 O4 |
Calculated formula |
C22 H8 F14 N2 O4 |
SMILES |
FC(C(C(F)(F)F)(F)F)(CN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CC(C(C(F)(F)F)(F)F)(F)F)F |
Title of publication |
<i>N</i>,<i>N</i>'-Bis(2,2,3,3,4,4,4-heptafluorobutyl)naphthalene-1,4:5,8-tetracarboximide |
Authors of publication |
Shukla, Deepak; Rajeswaran, Manju; Ahearn, Wendy G.; Meyer, Dianne M. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
12 |
Pages of publication |
o2327 |
a |
5.191 ± 0.0005 Å |
b |
10.1459 ± 0.0012 Å |
c |
11.5988 ± 0.0015 Å |
α |
66.693 ± 0.004° |
β |
79.064 ± 0.004° |
γ |
89.115 ± 0.007° |
Cell volume |
549.64 ± 0.11 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 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 all reflections |
0.1806 |
Residual factor for significantly intense reflections |
0.067 |
Weighted residual factors for significantly intense reflections |
0.1604 |
Weighted residual factors for all reflections included in the refinement |
0.223 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.93 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2220272.html