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Information card for entry 4030946
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Coordinates | 4030946.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | o-(CF3)2-TTF-o-(CO2Me) |
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Chemical name | 4,5-bis(trifluoromethyl)-4',5'-bis(methoxycarbonyl)tetrathiafulvalene |
Formula | C12 H6 F6 O4 S4 |
Calculated formula | C12 H6 F6 O4 S4 |
Title of publication | Trifluoromethyl-substituted tetrathiafulvalenes. |
Authors of publication | Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc |
Journal of publication | Beilstein journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 11 |
Pages of publication | 647 - 658 |
a | 7.4209 ± 0.0008 Å |
b | 17.0659 ± 0.0017 Å |
c | 13.5707 ± 0.0015 Å |
α | 90° |
β | 97.834 ± 0.013° |
γ | 90° |
Cell volume | 1702.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0612 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0706 |
Weighted residual factors for all reflections included in the refinement | 0.0783 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4030946.html
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