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Information card for entry 4518085
Preview
Coordinates | 4518085.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H55.66 Cl2 N2 O2.83 Si2 |
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Calculated formula | C39 H55.66 Cl2 N2 O2.83 Si2 |
Title of publication | Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination |
Authors of publication | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 11693 - 11699 |
a | 7.4568 ± 0.0002 Å |
b | 20.0275 ± 0.0005 Å |
c | 27.8489 ± 0.0007 Å |
α | 88.958 ± 0.001° |
β | 84.338 ± 0.001° |
γ | 80.073 ± 0.001° |
Cell volume | 4076.73 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0713 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.151 |
Weighted residual factors for all reflections included in the refinement | 0.1624 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4518085.html
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