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Information card for entry 4122042
Preview
Coordinates | 4122042.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H49 B F10 N O2 P2 Si |
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Calculated formula | C51 H49 B F10 N O2 P2 Si |
SMILES | P1(=[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)(c1c(cccc1)C)c1c(cccc1)C |
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 | 12.9178 ± 0.0004 Å |
b | 21.3427 ± 0.0008 Å |
c | 17.9706 ± 0.0008 Å |
α | 90° |
β | 100.694 ± 0.002° |
γ | 90° |
Cell volume | 4868.5 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1424 |
Residual factor for significantly intense reflections | 0.0612 |
Weighted residual factors for significantly intense reflections | 0.1232 |
Weighted residual factors for all reflections included in the refinement | 0.1656 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4122042.html
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