Information card for entry 4134675

Structure parameters

• Formula: C28 H26 I2 N O2 P
• Calculated formula: C28 H26 I2 N O2 P
• Title of publication: Michael Reaction Inspired Atroposelective Construction of Axially Chiral Biaryls.
• Authors of publication: Yan, Shengyi; Xia, Wang; Li, Shaoyu; Song, Qiuling; Xiang, Shao-Hua; Tan, Bin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 16
• Pages of publication: 7322 - 7327
• a: 18.6068 ± 0.0014 Å
• b: 7.2917 ± 0.0006 Å
• c: 20.2774 ± 0.0015 Å
• α: 90°
• β: 110.916 ± 0.002°
• γ: 90°
• Cell volume: 2569.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No