Information card for entry 1555456

Structure parameters

• Formula: C30 H21 Cl2 N O3 S
• Calculated formula: C30 H21 Cl2 N O3 S
• SMILES: S(=O)(=O)(N1C(=O)C2(C(=C(c3c(C2)cccc3)c2ccc(Cl)cc2)c2c1cccc2)C)c1ccc(Cl)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: 7.3264 ± 0.0004 Å
• b: 7.7051 ± 0.0006 Å
• c: 23.332 ± 0.0014 Å
• α: 84.594 ± 0.001°
• β: 88.837 ± 0.002°
• γ: 82.404 ± 0.001°
• Cell volume: 1299.7 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1809
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.2512
• Weighted residual factors for all reflections included in the refinement: 0.2841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No