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Information card for entry 1518215
Preview
Coordinates | 1518215.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H32 Au N O2 |
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Calculated formula | C30 H32 Au N O2 |
SMILES | c1cccc2c3ccc(cc3[Au](c3ccc(cc3)OC(C)C)(c3ccc(cc3)OC(C)C)[n]12)C |
Title of publication | Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) |
Authors of publication | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 2 |
Pages of publication | 981 |
a | 19.4071 ± 0.0009 Å |
b | 15.6565 ± 0.0007 Å |
c | 19.6251 ± 0.0009 Å |
α | 90° |
β | 112.078 ± 0.001° |
γ | 90° |
Cell volume | 5525.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0488 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.0841 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
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/1518215.html
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