Information card for entry 4132534

Structure parameters

• Formula: C26 H29 N O4 S
• Calculated formula: C26 H29 N O4 S
• SMILES: S(=O)(=O)(N1C[C@@H]([C@H](CC1)c1ccccc1)COc1ccc(OC)cc1)c1ccc(cc1)C
• Title of publication: Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.
• Authors of publication: Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 24
• Pages of publication: 7458 - 7461
• a: 8.3584 ± 0.0004 Å
• b: 14.816 ± 0.0005 Å
• c: 18.9753 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2349.86 ± 0.16 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No