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Information card for entry 4516776
Preview
Coordinates | 4516776.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H40 Co N O P2 |
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Calculated formula | C25 H40 Co N O P2 |
SMILES | [Co]12([P](C(C)C)(C(C)C)Cc3[n]2c(C[P]1(C(C)C)C(C)C)ccc3)Oc1ccccc1 |
Title of publication | Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling. |
Authors of publication | Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J. |
Journal of publication | ACS central science |
Year of publication | 2016 |
Journal volume | 2 |
Journal issue | 12 |
Pages of publication | 935 - 942 |
a | 9.7605 ± 0.0008 Å |
b | 11.09 ± 0.0009 Å |
c | 13.2025 ± 0.0011 Å |
α | 109.848 ± 0.004° |
β | 103.373 ± 0.004° |
γ | 96.594 ± 0.004° |
Cell volume | 1278.22 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0311 |
Residual factor for significantly intense reflections | 0.0262 |
Weighted residual factors for significantly intense reflections | 0.0663 |
Weighted residual factors for all reflections included in the refinement | 0.0691 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4516776.html
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Users of the data should acknowledge the original authors of the
structural data.