Information card for entry 7124202

Structure parameters

• Formula: C21 H20 I N O5
• Calculated formula: C21 H20 I N O5
• Title of publication: A gold(I)-catalysed three-component reaction via trapping oxonium ylides with allenamides
• Authors of publication: Liu, Gengxin; Yu, Sifan; Hu, Wenhao; Qiu, Huang
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.6909 ± 0.0002 Å
• b: 8.2225 ± 0.0001 Å
• c: 30.5829 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3945.76 ± 0.08 ų
• Cell temperature: 99.98 ± 0.13 K
• Ambient diffraction temperature: 99.98 ± 0.13 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No