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Information card for entry 4129018
Preview
Coordinates | 4129018.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H43 N3 Si3 V |
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Calculated formula | C27 H43 N3 Si3 V |
SMILES | [V]12([n]3ccccc3c3[n]1c(cc(C[Si](C)(C)C)c3)c1[n]2cccc1)(C[Si](C)(C)C)C[Si](C)(C)C |
Title of publication | Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities. |
Authors of publication | Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 38 |
Pages of publication | 15230 - 15239 |
a | 10.8676 ± 0.0007 Å |
b | 12.3856 ± 0.0008 Å |
c | 12.9182 ± 0.0008 Å |
α | 115.312 ± 0.001° |
β | 95.615 ± 0.001° |
γ | 97.369 ± 0.001° |
Cell volume | 1536.12 ± 0.17 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 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 | 0.0973 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.108 |
Weighted residual factors for all reflections included in the refinement | 0.1293 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4129018.html
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Users of the data should acknowledge the original authors of the
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