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Information card for entry 4123831
Preview
Coordinates | 4123831.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Mu_09_130 |
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Chemical name | Mu_09_130_0ma |
Formula | C38 H51 Cu N2 |
Calculated formula | C38 H51 Cu N2 |
SMILES | C(=C\CCCc1ccccc1)/[Cu]=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes. |
Authors of publication | Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 24 |
Pages of publication | 7747 - 7753 |
a | 10.2769 ± 0.0009 Å |
b | 15.7138 ± 0.0013 Å |
c | 10.6026 ± 0.0009 Å |
α | 90° |
β | 102.538 ± 0.005° |
γ | 90° |
Cell volume | 1671.4 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0444 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.0656 |
Weighted residual factors for all reflections included in the refinement | 0.0698 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4123831.html
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