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Information card for entry 7156065
Preview
Coordinates | 7156065.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (Z)-2-chloro-3-(4-methylphenyl)-1-phenylprop-2-en-1-one |
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Formula | C16 H13 Cl O |
Calculated formula | C16 H13 Cl O |
SMILES | C(=C(Cl)\C(=O)c1ccccc1)/c1ccc(cc1)C |
Title of publication | E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle. |
Authors of publication | Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 7 |
Pages of publication | 1134 - 1143 |
a | 8.8054 ± 0.0008 Å |
b | 11.6093 ± 0.0011 Å |
c | 26.7629 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2735.8 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0436 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.1088 |
Weighted residual factors for all reflections included in the refinement | 0.1132 |
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 |
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The link is: https://www.crystallography.net/7156065.html
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