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Information card for entry 4122047
Preview
Coordinates | 4122047.cif |
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Original paper (by DOI) | HTML |
Formula | C54 H52 B F10 O P2 Si |
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Calculated formula | C54 H52 B F10 O P2 Si |
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 | 13.994 ± 0.0002 Å |
b | 20.2817 ± 0.0004 Å |
c | 18.9835 ± 0.0003 Å |
α | 90° |
β | 109.897 ± 0.002° |
γ | 90° |
Cell volume | 5066.31 ± 0.16 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 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 | 0.0653 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.1222 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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