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Information card for entry 1560019
Preview
Coordinates | 1560019.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H30 N O P |
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Calculated formula | C33 H30 N O P |
SMILES | P(c1c(cccc1)C(O)(c1ccc(N(C)C)cc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity |
Authors of publication | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. |
Journal of publication | Chemical Science |
Year of publication | 2021 |
Journal volume | 12 |
Journal issue | 11 |
Pages of publication | 3929 - 3936 |
a | 8.2229 ± 0.0005 Å |
b | 12.4346 ± 0.0006 Å |
c | 13.1943 ± 0.0007 Å |
α | 108.632 ± 0.002° |
β | 96.25 ± 0.002° |
γ | 93.485 ± 0.002° |
Cell volume | 1264.24 ± 0.12 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 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 | 0.0675 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.1202 |
Weighted residual factors for all reflections included in the refinement | 0.1335 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/1560019.html
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Users of the data should acknowledge the original authors of the
structural data.