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Information card for entry 7037630
Preview
Coordinates | 7037630.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H17 F7 N O6 P S2 |
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Calculated formula | C20 H17 F7 N O6 P S2 |
SMILES | c1(cccc[n+]1C)[P+](c1ccccc1)(c1ccccc1)F.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-] |
Title of publication | Pyridinium-phosphonium dications: highly electrophilic phosphorus-based Lewis acid catalysts. |
Authors of publication | Bayne, Julia M.; Holthausen, Michael H.; Stephan, Douglas W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 14 |
Pages of publication | 5949 - 5957 |
a | 8.157 ± 0.005 Å |
b | 11.063 ± 0.005 Å |
c | 14.545 ± 0.005 Å |
α | 71.127 ± 0.005° |
β | 77.393 ± 0.005° |
γ | 84.08 ± 0.005° |
Cell volume | 1211.3 ± 1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0509 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.1016 |
Weighted residual factors for all reflections included in the refinement | 0.109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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