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Information card for entry 4105924
Preview
Coordinates | 4105924.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H65 Bi N2 O2 |
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Calculated formula | C42 H65 Bi N2 O2 |
SMILES | [Bi]12(Oc3c(cc(cc3C(C)(C)C)C)C(C)(C)C)(Oc3c(cc(cc3C(C)(C)C)C)C(C)(C)C)[N](Cc3c2c(ccc3)C[N]1(C)C)(C)C |
Title of publication | Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2- |
Authors of publication | Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 5244 - 5247 |
a | 11.3693 ± 0.0007 Å |
b | 29.7135 ± 0.0019 Å |
c | 13.0038 ± 0.0008 Å |
α | 90° |
β | 114.79 ± 0.0007° |
γ | 90° |
Cell volume | 3988.2 ± 0.4 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0508 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0823 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
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/4105924.html
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