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Information card for entry 4116321
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Coordinates | 4116321.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3-(2-(2,5-dimethyl(3-thienyl))-3,3,4,4,5,6-hexafluorocyclopent-1-enyl)-2,5-d imethylthiophene |
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Formula | C17 H14 F6 S2 |
Calculated formula | C17 H14 F6 S2 |
Title of publication | Photochromism of 1,2-Bis(2,5-dimethyl-3-thienyl)perfluoro- cyclopentene in a Single Crystalline Phase |
Authors of publication | Seiya Kobatake; Taro Yamada; Kingo Uchida; Nobuo Kato; Masahiro Irie |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 2380 - 2386 |
a | 8.833 ± 0.002 Å |
b | 11.178 ± 0.002 Å |
c | 11.431 ± 0.002 Å |
α | 100.588 ± 0.008° |
β | 112.708 ± 0.006° |
γ | 113.218 ± 0.012° |
Cell volume | 878.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0507 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.0969 |
Weighted residual factors for all reflections included in the refinement | 0.1044 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4116321.html
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