Information card for entry 1547106

Structure parameters

• Formula: C26 H25 N O5 S2
• Calculated formula: C26 H25 N O5 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1ccccc1)/C(=C(\C=C\CCC)c1ccccc1)C=O)c1ccccc1
• Title of publication: Copper-Catalyzed Imidovinylation of Alkynes via 1,3-Vinyl Migration.
• Authors of publication: Sun, Jiaqiong; Zheng, Guangfan; Zhang, Qiao; Wang, Yimin; Yang, Shengbiao; Zhang, Qian; Li, Yan; Zhang, Qian
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 14
• Pages of publication: 3767 - 3770
• a: 10.796 Å
• b: 11.834 Å
• c: 19.55 Å
• α: 90°
• β: 97.95°
• γ: 90°
• Cell volume: 2473.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0724
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No