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Information card for entry 7053318
Preview
Coordinates | 7053318.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 F40 |
---|---|
Calculated formula | C90 F40 |
SMILES | FC1(F)C23c4c5C6(c7c2c2c8c3c3C9%10c4c4c%11c5c5c6c6C%12%13c7c7c2C2%14C%15(c8c8c3c3c9c9C4(c4c%11c%11c5c5c6c6C%12(c%12c7c2c2c7c%15c8c8c3c3c9c9c4c4c%11c5c5c6c6c%12c2c2c7c8c3c3c9C74C5(c6c23)C(F)(F)C(F)(F)C(F)(F)C7(F)F)C(F)(F)C(F)(F)C(F)(F)C%13(F)F)C(F)(F)C(F)(F)C(F)(F)C%10(F)F)C(F)(F)C(F)(F)C(F)(F)C%14(F)F)C(F)(F)C(F)(F)C1(F)F |
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 | 23.734 ± 0.002 Å |
b | 11.947 ± 0.001 Å |
c | 20.846 ± 0.002 Å |
α | 90° |
β | 103.37 ± 0.003° |
γ | 90° |
Cell volume | 5750.7 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 2 |
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 | 0.1486 |
Residual factor for significantly intense reflections | 0.1438 |
Weighted residual factors for significantly intense reflections | 0.3828 |
Weighted residual factors for all reflections included in the refinement | 0.3913 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
Diffraction radiation wavelength | 0.905 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7053318.html
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