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Information card for entry 1563273
Preview
Coordinates | 1563273.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H38 Cl Ir N4 |
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Calculated formula | C36 H38 Cl Ir N4 |
SMILES | [Ir]12(Cl)([n]3c(cccc3)Cc3c1cc(N(C)C)cc3)c1c(N3C=2N(c2ccccc2)[C@@H]2[C@@]4(CCC2)[C@@H]3CCC4)cccc1 |
Title of publication | An Effective and Versatile Strategy for the Synthesis of Structurally Diverse Heteroarylsilanes via Ir(III)-Catalyzed C−H Silylation |
Authors of publication | Yan, Zhi-Bo; Peng, Meng; Chen, Qi-Long; Lu, Ka; Tu, Yong Qiang; Dai, Kun Long; Zhang, Fu-Min; Zhang, Xiao-Ming |
Journal of publication | Chemical Science |
Year of publication | 2021 |
a | 26.9599 ± 0.0004 Å |
b | 26.9599 ± 0.0004 Å |
c | 11.349 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 7143.7 ± 0.2 Å3 |
Cell temperature | 270.82 ± 0.19 K |
Ambient diffraction temperature | 270.82 ± 0.19 K |
Number of distinct elements | 5 |
Space group number | 169 |
Hermann-Mauguin space group symbol | P 61 |
Hall space group symbol | P 61 |
Residual factor for all reflections | 0.0445 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.1134 |
Weighted residual factors for all reflections included in the refinement | 0.1154 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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