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Information card for entry 7211641
Preview
Coordinates | 7211641.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3,4-difluoro-1,2,3,5-dithiadiazolyl |
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Formula | C7 H3 F2 N2 S2 |
Calculated formula | C7 H3 F2 N2 S2 |
Title of publication | The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals |
Authors of publication | Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 1 |
Pages of publication | 172 |
a | 7.543 ± 0.002 Å |
b | 11.193 ± 0.002 Å |
c | 18.688 ± 0.004 Å |
α | 90° |
β | 93.87 ± 0.03° |
γ | 90° |
Cell volume | 1574.2 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0765 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.1097 |
Weighted residual factors for all reflections included in the refinement | 0.128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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