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Information card for entry 4085092
Preview
Coordinates | 4085092.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H33 O5 P Pd |
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Calculated formula | C31 H33 O5 P Pd |
SMILES | [Pd]1([P](c2c(cccc2)OC)(c2ccccc2OC)c2c([O]1C)cccc2)(OC(=O)C)c1c(cccc1C)C |
Title of publication | Remarkable Ligand Effect of P(2-MeOC6H4)3on Palladium-Catalyzed Direct Arylation |
Authors of publication | Wakioka, Masayuki; Nakamura, Yuki; Montgomery, Michelle; Ozawa, Fumiyuki |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 1 |
Pages of publication | 198 |
a | 14.9591 ± 0.0015 Å |
b | 16.4861 ± 0.0018 Å |
c | 23.666 ± 0.003 Å |
α | 81.235 ± 0.004° |
β | 78.161 ± 0.004° |
γ | 76.153 ± 0.003° |
Cell volume | 5513.4 ± 1.1 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0564 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.114 |
Weighted residual factors for all reflections included in the refinement | 0.1191 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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