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Information card for entry 1508203
Preview
Coordinates | 1508203.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H62 Au2 Cl2 P2 |
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Calculated formula | C60 H62 Au2 Cl2 P2 |
SMILES | [Au](Cl)[P](c1cc(cc(c1)C)C)(c1cc(cc(c1)C)C)c1c2ccc(c1)CCc1c([P]([Au]Cl)(c3cc(cc(c3)C)C)c3cc(cc(c3)C)C)cc(CC2)cc1.c1ccccc1.c1ccccc1 |
Title of publication | A gold-catalysed enantioselective Cope rearrangement of achiral 1,5-dienes. |
Authors of publication | Felix, Ryan J.; Weber, Dieter; Gutierrez, Osvaldo; Tantillo, Dean J.; Gagné, Michel R |
Journal of publication | Nature chemistry |
Year of publication | 2012 |
Journal volume | 4 |
Journal issue | 5 |
Pages of publication | 405 - 409 |
a | 11.4778 ± 0.0002 Å |
b | 16.5221 ± 0.0003 Å |
c | 27.708 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5254.47 ± 0.15 Å3 |
Cell temperature | 100.15 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0252 |
Residual factor for significantly intense reflections | 0.0247 |
Weighted residual factors for significantly intense reflections | 0.0621 |
Weighted residual factors for all reflections included in the refinement | 0.0625 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54184 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/1508203.html
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