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Information card for entry 4106070
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Coordinates | 4106070.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H41 F3 O7 P2 Pd S |
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Calculated formula | C37 H41 F3 O7 P2 Pd S |
Title of publication | Pd-Catalyzed Copolymerization of Methyl Acrylate with Carbon Monoxide: Structures, Properties and Mechanistic Aspects toward Ligand Design |
Authors of publication | Akifumi Nakamura; Kagehiro Munakata; Shingo Ito; Takuya Kochi; Lung Wa Chung; Keiji Morokuma; Kyoko Nozaki |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 6761 - 6779 |
a | 9.252 ± 0.003 Å |
b | 24.067 ± 0.008 Å |
c | 17.032 ± 0.006 Å |
α | 90° |
β | 96.5948 ± 0.0013° |
γ | 90° |
Cell volume | 3767 ± 2 Å3 |
Cell temperature | 103.15 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.031 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0619 |
Weighted residual factors for all reflections included in the refinement | 0.0635 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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