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Information card for entry 7213359
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Coordinates | 7213359.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tetra-(4-jodophenyl)ethene (5) |
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Formula | C26 H16 I4 |
Calculated formula | C26 H16 I4 |
SMILES | Ic1ccc(C(=C(c2ccc(I)cc2)c2ccc(I)cc2)c2ccc(I)cc2)cc1 |
Title of publication | Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds |
Authors of publication | Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2000 |
Journal issue | 10 |
Pages of publication | 2115 |
a | 9.648 ± 0.001 Å |
b | 16.605 ± 0.007 Å |
c | 15.81 ± 0.006 Å |
α | 90° |
β | 97.61 ± 0.02° |
γ | 90° |
Cell volume | 2510.5 ± 1.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.053 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.097 |
Weighted residual factors for all reflections included in the refinement | 0.103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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