Information card for entry 7248004
Formula |
C3 F2 I |
Calculated formula |
C3 F2 I |
Title of publication |
Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction |
Authors of publication |
Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie |
Journal of publication |
CrystEngComm |
Year of publication |
2024 |
Journal volume |
26 |
Journal issue |
6 |
Pages of publication |
764 - 772 |
a |
7.9881 ± 0.0008 Å |
b |
6.0289 ± 0.0004 Å |
c |
9.0193 ± 0.001 Å |
α |
90° |
β |
100.291 ± 0.009° |
γ |
90° |
Cell volume |
427.38 ± 0.07 Å3 |
Cell temperature |
296 K |
Ambient diffraction temperature |
296 K |
Number of distinct elements |
3 |
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 |
0.0361 |
Residual factor for significantly intense reflections |
0.0327 |
Weighted residual factors for significantly intense reflections |
0.0818 |
Weighted residual factors for all reflections included in the refinement |
0.0848 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.08 |
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/7248004.html