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Information card for entry 4514760
Preview
Coordinates | 4514760.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12.5 H16 Cl2 Co N1.5 O |
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Calculated formula | C12 H16 Cl2 Co N2 O |
SMILES | [Co]1(Cl)(Cl)[N]2=C(OC[C@@H]2C(C)C)c2[n]1c(C)ccc2 |
Title of publication | Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes |
Authors of publication | Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 2 |
Pages of publication | 1612 |
a | 8.5586 ± 0.0002 Å |
b | 8.9303 ± 0.0002 Å |
c | 9.6822 ± 0.0002 Å |
α | 76.723 ± 0.001° |
β | 86.703 ± 0.001° |
γ | 85.126 ± 0.001° |
Cell volume | 717.08 ± 0.03 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 169.99 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0408 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0995 |
Weighted residual factors for all reflections included in the refinement | 0.105 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.81 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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