Information card for entry 4133407

Structure parameters

• Formula: C24 H15 Br2 I O3 S
• Calculated formula: C24 H15 Br2 I O3 S
• SMILES: I/C(=C(S(=O)(=O)c1ccc(Br)cc1)\c1c2ccccc2ccc1O)c1c(Br)cccc1
• Title of publication: Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.
• Authors of publication: Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 49
• Pages of publication: 16893 - 16898
• a: 7.6112 ± 0.0002 Å
• b: 9.4733 ± 0.0002 Å
• c: 32.0728 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2312.55 ± 0.1 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No