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Information card for entry 7044753
Preview
Coordinates | 7044753.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H22 F6 N O6 P S2 |
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Calculated formula | C26 H22 F6 N O6 P S2 |
SMILES | S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.[P+](c1cc[n+](cc1)C)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction |
Authors of publication | Barrado, Alejandro G.; Bayne, Julia M.; Johnstone, Timothy C.; Lehmann, Christian W.; Stephan, Douglas W.; Alcarazo, Manuel |
Journal of publication | Dalton Transactions |
Year of publication | 2017 |
a | 9.4391 ± 0.0003 Å |
b | 10.34 ± 0.0004 Å |
c | 28.9765 ± 0.001 Å |
α | 90° |
β | 94.4003 ± 0.001° |
γ | 90° |
Cell volume | 2819.78 ± 0.17 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
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 | 0.0405 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0977 |
Weighted residual factors for all reflections included in the refinement | 0.1001 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | Cu-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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