Information card for entry 4129412

Structure parameters

• Common name: CYH3-57A
• Formula: C24 H22 N2 O6 S2
• Calculated formula: C24 H22 N2 O6 S2
• SMILES: S1(=O)(=O)N([C@@H]2[C@H](C1)Cc1ccccc21)C(=O)/C=C/C(=O)N1S(=O)(=O)C[C@@H]2Cc3c([C@H]12)cccc3
• 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: 8.6282 ± 0.0002 Å
• b: 15.1464 ± 0.0004 Å
• c: 16.6519 ± 0.0005 Å
• α: 90°
• β: 93.451 ± 0.002°
• γ: 90°
• Cell volume: 2172.23 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No