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Information card for entry 1573846
Preview
Coordinates | 1573846.cif |
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Original paper (by DOI) | HTML |
Formula | C57 H68 Br Cu N4 |
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Calculated formula | C57 H68 Br Cu N4 |
Title of publication | Multiligand Enabled, Copper-Catalyzed Hiyama Coupling of Arylsilanes with Unactivated Secondary Alkyl Halides: Reaction Development and Mechanistic Insights |
Authors of publication | Zhou, Jiajing; Zhang, Zhiqiang; Cao, Yan; Xie, Weilong |
Journal of publication | Chemical Science |
Year of publication | 2025 |
a | 12.3872 ± 0.0019 Å |
b | 15.6834 ± 0.0019 Å |
c | 16.433 ± 0.003 Å |
α | 90.934 ± 0.007° |
β | 111.881 ± 0.007° |
γ | 110.488 ± 0.005° |
Cell volume | 2735.3 ± 0.8 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 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 | 0.083 |
Residual factor for significantly intense reflections | 0.0713 |
Weighted residual factors for significantly intense reflections | 0.2151 |
Weighted residual factors for all reflections included in the refinement | 0.2258 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
297590 (current) | 2025-02-05 | cif/ Adding structures of 1573846 via cif-deposit CGI script. |
1573846.cif |
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