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Information card for entry 2238222
Preview
Coordinates | 2238222.cif |
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Structure factors | 2238222.hkl |
Original IUCr paper | HTML |
Chemical name | 4-(5-{2-[5-(4-Cyanophenyl)-3-methylthiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl}-4-methylthiophen-2-yl)benzonitrile chloroform hemisolvate |
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Formula | C29.5 H16.5 Cl1.5 F6 N2 S2 |
Calculated formula | C29.5 H16.5 Cl1.5 F6 N2 S2 |
Title of publication | 4-(5-{2-[5-(4-Cyanophenyl)-3-methylthiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl}-4-methylthiophen-2-yl)benzonitrile chloroform hemisolvate |
Authors of publication | El-Hiti, Gamal A.; Smith, Keith; Masmali, Ali; Balakit, Asim A.; Kariuki, Benson M. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 7 |
Pages of publication | o1041 |
a | 18.4237 ± 0.0004 Å |
b | 15.7594 ± 0.0006 Å |
c | 20.9299 ± 0.0007 Å |
α | 90° |
β | 113.28 ± 0.002° |
γ | 90° |
Cell volume | 5582.2 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1083 |
Residual factor for significantly intense reflections | 0.0687 |
Weighted residual factors for significantly intense reflections | 0.1509 |
Weighted residual factors for all reflections included in the refinement | 0.1744 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
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