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Information card for entry 4108354
Preview
Coordinates | 4108354.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H18 Cl2 O10 |
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Calculated formula | C25 H18 Cl2 O10 |
SMILES | C1(=C(C(=O)C(=O)c2ccccc12)C(=O)OC)O.C1(=C(C(=O)C(=O)c2ccccc12)C(=O)OC)O.C(Cl)Cl |
Title of publication | Mechanistic Study of Asymmetric Oxidative Biaryl Coupling: Evidence for Self-Processing of the Copper Catalyst to Achieve Control of Oxidase vs Oxygenase Activity |
Authors of publication | J. Brian Hewgley; Shannon S. Stahl; Marisa C. Kozlowski |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 12232 - 12233 |
a | 7.1311 ± 0.0004 Å |
b | 12.5109 ± 0.0007 Å |
c | 13.6583 ± 0.0008 Å |
α | 84.172 ± 0.003° |
β | 83.812 ± 0.003° |
γ | 79.439 ± 0.003° |
Cell volume | 1186.75 ± 0.12 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1585 |
Weighted residual factors for all reflections included in the refinement | 0.1645 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71069 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/4108354.html
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Users of the data should acknowledge the original authors of the
structural data.