Information card for entry 4514761

Structure parameters

• Formula: C16 H18 Cl2 Co N2 O
• Calculated formula: C16 H18 Cl2 Co N2 O
• SMILES: [Co]1(Cl)(Cl)[n]2c3ccccc3ccc2C2OC[C@@H]([N]1=2)C(C)(C)C
• 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: 9.7507 ± 0.0002 Å
• b: 13.413 ± 0.0002 Å
• c: 12.9181 ± 0.0002 Å
• α: 90°
• β: 90.316 ± 0.001°
• γ: 90°
• Cell volume: 1689.48 ± 0.05 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No