Information card for entry 1555455

Structure parameters

• Formula: C31 H23 Cl2 N O4 S
• Calculated formula: C31 H23 Cl2 N O4 S
• SMILES: Clc1ccc(C2=C3C(C(=O)N(S(=O)(=O)c4ccc(Cl)cc4)c4c3cccc4)(Cc3cc(OC)ccc23)C)cc1
• Title of publication: Catalytic Arylsulfonyl Radical Triggered 1,7-Enyne Bicyclizations.
• Authors of publication: Zhu, Yi-Long; Jiang, Bo; Hao, Wen-Juan; Qiu, Jiang-Kai; Sun, Jun; Wang, De-Cai; Wei, Ping; Wang, Ai-Fang; Li, Guigen; Tu, Shu-Jiang
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 6078 - 6081
• a: 9.8014 ± 0.0013 Å
• b: 12.1207 ± 0.0015 Å
• c: 13.323 ± 0.003 Å
• α: 99.552 ± 0.015°
• β: 106.402 ± 0.016°
• γ: 111.742 ± 0.012°
• Cell volume: 1343.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1619
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No