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Information card for entry 7119285
Preview
Coordinates | 7119285.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H23 B2 F20 O3 P S |
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Calculated formula | C43 H23 B2 F20 O3 P S |
SMILES | S12OC([P+](CC[B]([O]=1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1c(cccc1C)C)c1c(cccc1C)C)[B](O2)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Reversible formylborane/SO2 coupling at a frustrated Lewis pair framework. |
Authors of publication | Ye, Ke-Yin; Bursch, Markus; Qu, Zheng-Wang; Daniliuc, Constantin G.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2017 |
Journal volume | 53 |
Journal issue | 3 |
Pages of publication | 633 - 635 |
a | 19.6527 ± 0.0003 Å |
b | 18.1222 ± 0.0003 Å |
c | 23.6282 ± 0.0004 Å |
α | 90° |
β | 99.171 ± 0.001° |
γ | 90° |
Cell volume | 8307.6 ± 0.2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0668 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1024 |
Weighted residual factors for all reflections included in the refinement | 0.1096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7119285.html
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Users of the data should acknowledge the original authors of the
structural data.