Information card for entry 4037441

Structure parameters

• Formula: C24 H22 N2 O6 S2
• Calculated formula: C24 H22 N2 O6 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1ccccc1)CC1(c2ccccc2C(=O)N(C1=O)C)C)c1ccccc1
• Title of publication: Copper-Catalyzed Radical-Promoted Aminocyclization of Acrylamides with N-Fluorobenzenesulfonimide.
• Authors of publication: Xia, Xiao-Feng; Zhu, Su-Li; Liu, Jian-Biao; Wang, Dawei; Liang, Yong-Min
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 24
• Pages of publication: 12482 - 12488
• a: 17.1594 ± 0.0005 Å
• b: 9.52 ± 0.0003 Å
• c: 13.9945 ± 0.0004 Å
• α: 90°
• β: 94.193 ± 0.003°
• γ: 90°
• Cell volume: 2279.99 ± 0.12 ų
• Cell temperature: 294.06 ± 0.1 K
• Ambient diffraction temperature: 294.06 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0648
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No