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Information card for entry 7053319
Preview
Coordinates | 7053319.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H14 F8 |
---|---|
Calculated formula | C80 H14 F8 |
SMILES | FC1(F)C23c4c5c6c7c8c9c5c5c%10c%11c9c9c8c8c%12c7c7c(c26)c2c6C3(c3c%13c4c5c4c5c%10c%10c%11c%11c9c9c8c8c%12c%12c7c2c2c7c6c3c3c(c%134)c4c5c5c%10c6c%11c9c9c8c8c%12c2c2c7c3c4c3c2c8c9c6c53)C(F)(F)C(F)(F)C1(F)F.CCCCCC |
Title of publication | Synthesis and structure of cycloperfluoroalkylated derivatives of C70, C70(C2F4) and C70(C4F8)n, n = 1‒6 |
Authors of publication | Gruzinskaya, Natalia I.; Silin, Andrey I.; Pimenova, Anna S.; Khavrel, Pavel A.; Markov, Vitaliy Yu.; Sidorov, Lev N.; Kemnitz, Erhard; Troyanov, Sergey I. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 2 |
Pages of publication | 243 |
a | 21.4945 ± 0.0003 Å |
b | 10.1855 ± 0.0004 Å |
c | 20.2452 ± 0.0007 Å |
α | 90° |
β | 107.742 ± 0.003° |
γ | 90° |
Cell volume | 4221.5 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0929 |
Residual factor for significantly intense reflections | 0.0873 |
Weighted residual factors for significantly intense reflections | 0.2291 |
Weighted residual factors for all reflections included in the refinement | 0.2315 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.905 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7053319.html
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Users of the data should acknowledge the original authors of the
structural data.