Information card for entry 4129411

Structure parameters

• Common name: DCY1
• Formula: C36 H43 N3 Ni O7 S2
• Calculated formula: C36 H43 N3 Ni O7 S2
• Title of publication: Electron-deficient olefin ligands enable generation of quaternary carbons by Ni-catalyzed cross-coupling.
• Authors of publication: Huang, Chung-Yang Dennis; Doyle, Abigail G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 17
• Pages of publication: 5638 - 5641
• a: 16.678 ± 0.003 Å
• b: 14.028 ± 0.002 Å
• c: 14.858 ± 0.003 Å
• α: 90°
• β: 99.007 ± 0.01°
• γ: 90°
• Cell volume: 3433.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No