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Information card for entry 4065455
Preview
Coordinates | 4065455.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H29 B F15 N |
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Calculated formula | C41 H29 B F15 N |
SMILES | C(=C(C1=C(CC=C1)C(=[N+](C)C)C)\c1ccc(cc1)C)\[B](C(=C\CCC)\c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | 6-Dimethylaminopentafulvene as a Lewis Base Component in Frustrated Lewis Pairs: Reversible Carbon‒Carbon Coupling in FLP Chemistry |
Authors of publication | Xu, Bao-Hua; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 19 |
Pages of publication | 5080 |
a | 10.7403 ± 0.0002 Å |
b | 12.594 ± 0.0003 Å |
c | 33.042 ± 0.0013 Å |
α | 90° |
β | 95.562 ± 0.002° |
γ | 90° |
Cell volume | 4448.3 ± 0.2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0867 |
Residual factor for significantly intense reflections | 0.0641 |
Weighted residual factors for significantly intense reflections | 0.1888 |
Weighted residual factors for all reflections included in the refinement | 0.2029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
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/4065455.html
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