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Information card for entry 7043906
Preview
Coordinates | 7043906.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H42 B F10 P |
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Calculated formula | C36 H42 B F10 P |
SMILES | [PH2+](/C(=C\C(C)(C)C)[BH](c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C |
Title of publication | Hydroboration route to geminal P/B frustrated Lewis pairs with a bulky secondary phosphane component and their reaction with carbon dioxide |
Authors of publication | Erker, Gerhard; Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin Gabriel; Wibbeling, Birgit |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 12.3185 ± 0.0002 Å |
b | 19.8134 ± 0.0004 Å |
c | 14.6806 ± 0.0003 Å |
α | 90° |
β | 95.344 ± 0.001° |
γ | 90° |
Cell volume | 3567.54 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0367 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0846 |
Weighted residual factors for all reflections included in the refinement | 0.0868 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7043906.html
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