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Information card for entry 4122045
Preview
Coordinates | 4122045.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H37 B F10 N P Si |
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Calculated formula | C42 H37 B F10 N P Si |
SMILES | [P+]1(C(=C([B](/C1=N\CCCC)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)CCc1ccccc1)[Si](C)(C)C)(c1ccccc1)c1ccccc1 |
Title of publication | Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair. |
Authors of publication | Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 25 |
Pages of publication | 9014 - 9027 |
a | 12.1747 ± 0.0009 Å |
b | 12.7333 ± 0.0004 Å |
c | 13.6728 ± 0.0008 Å |
α | 88.238 ± 0.004° |
β | 88.482 ± 0.007° |
γ | 72.921 ± 0.004° |
Cell volume | 2024.8 ± 0.2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0542 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1091 |
Weighted residual factors for all reflections included in the refinement | 0.1171 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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