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Information card for entry 7040819
Preview
Coordinates | 7040819.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H17 B2 F20 P |
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Calculated formula | C36 H17 B2 F20 P |
SMILES | [B]1(CCC[P]1(CCCB(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
Title of publication | Intramolecular Lewis pairs with two acid sites - reactivity differences between P- and N-based systems. |
Authors of publication | Körte, Leif A; Blomeyer, Sebastian; Heidemeyer, Shari; Nissen, Jan Hendrick; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 43 |
Pages of publication | 17319 - 17328 |
a | 9.4739 ± 0.0004 Å |
b | 11.1509 ± 0.0005 Å |
c | 17.537 ± 0.0011 Å |
α | 100.459 ± 0.005° |
β | 101.468 ± 0.005° |
γ | 103.921 ± 0.004° |
Cell volume | 1710.34 ± 0.17 Å3 |
Cell temperature | 99.98 ± 0.1 K |
Ambient diffraction temperature | 99.98 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0481 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0865 |
Weighted residual factors for all reflections included in the refinement | 0.0927 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7040819.html
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Users of the data should acknowledge the original authors of the
structural data.