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Information card for entry 4125396
Preview
Coordinates | 4125396.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H27 B Cl Ir N3 Si |
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Calculated formula | C27 H27 B Cl Ir N3 Si |
SMILES | [Ir]1234(Cl)([n]5c(N6B1Nc1c6cccc1)cccc5)([Si](C)(C)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1 |
Title of publication | N,B-Bidentate Boryl Ligand-Supported Iridium Catalyst for Efficient Functional-Group-Directed C-H Borylation. |
Authors of publication | Wang, Guanghui; Liu, Li; Wang, Hong; Ding, You-Song; Zhou, Jing; Mao, Shuai; Li, Pengfei |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 1 |
Pages of publication | 91 - 94 |
a | 11.047 ± 0.007 Å |
b | 11.047 ± 0.007 Å |
c | 42.43 ± 0.03 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5178 ± 6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for all reflections | 0.0243 |
Residual factor for significantly intense reflections | 0.0236 |
Weighted residual factors for significantly intense reflections | 0.0492 |
Weighted residual factors for all reflections included in the refinement | 0.0495 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.287 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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