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Information card for entry 4131631
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Coordinates | 4131631.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | LC7 |
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Formula | C36 H49 Cl F P Pd |
Calculated formula | C36 H49 Cl F P Pd |
SMILES | [Pd](c1ccc(F)cc1)(Cl)[P](C12CC3CC(C2)CC(C1)C3)(C12CC3CC(CC(C1)C3)C2)C12CC3CC(C1)CC(C2)C3 |
Title of publication | "Cationic" Suzuki-Miyaura Coupling with Acutely Base-Sensitive Boronic Acids. |
Authors of publication | Chen, Liye; Sanchez, Daniel R.; Zhang, Bufan; Carrow, Brad P. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 36 |
Pages of publication | 12418 - 12421 |
a | 10.0649 ± 0.0007 Å |
b | 17.7723 ± 0.0012 Å |
c | 17.206 ± 0.0012 Å |
α | 90° |
β | 98.0448 ± 0.0015° |
γ | 90° |
Cell volume | 3047.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0433 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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