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Information card for entry 4122043
Preview
Coordinates | 4122043.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H46 B F10 N O2 P2 Si |
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Calculated formula | C49 H46 B F10 N O2 P2 Si |
SMILES | [P]1(=[N](O)[B](C(=C1[Si](C)(C)C)CCP(=O)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(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 | 11.8792 ± 0.0002 Å |
b | 17.618 ± 0.0002 Å |
c | 12.1326 ± 0.0002 Å |
α | 90° |
β | 112.627 ± 0.001° |
γ | 90° |
Cell volume | 2343.76 ± 0.06 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0535 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.1024 |
Weighted residual factors for all reflections included in the refinement | 0.1073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4122043.html
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