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Information card for entry 7052565
Preview
Coordinates | 7052565.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H8 Cl6 F24 |
---|---|
Calculated formula | C90 H8 Cl6 F24 |
SMILES | C12(c3c4C5(c6c1c1c7c2c2C8(c3c3c9c4c4c5c5C%10(c6c6c%11c%12c%13C%14(c%15c%16C%17(c%13c%13c%18c%17c%17C%19(c%16c%16c%20c%15c%15c%14c(c5c5c4c4c9c9C3(c3c8c8c2c2c7c(c(c16)c%11%13)c%18c2c%17c8c%19c3C%16(c9c%20c4c%155)C(F)(F)F)C(F)(F)F)C%10%12Cl)C(F)(F)F)C(F)(F)F)C(F)(F)F)Cl)C(F)(F)F)C(F)(F)F)C(F)(F)F.c1(c(cccc1)Cl)Cl.c1(c(cccc1)Cl)Cl |
Title of publication | Regioselective near-equatorial chlorination of Cs-C70(CF3)8 |
Authors of publication | Goryunkov, Alexey A.; Samokhvalova, Nadezhda A.; Khavrel, Pavel A.; Belov, Nikita M.; Markov, Vitaliy Yu.; Sidorov, Lev N.; Troyanov, Sergey I. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 1 |
Pages of publication | 32 |
a | 11.4051 ± 0.0003 Å |
b | 19.155 ± 0.0005 Å |
c | 26.914 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5879.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 57 |
Hermann-Mauguin space group symbol | P b c m |
Hall space group symbol | -P 2c 2b |
Residual factor for all reflections | 0.1015 |
Residual factor for significantly intense reflections | 0.0944 |
Weighted residual factors for significantly intense reflections | 0.2129 |
Weighted residual factors for all reflections included in the refinement | 0.2132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
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/7052565.html
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