Information card for entry 4134901

Structure parameters

• Formula: C18.5 H14 Cl F6 I O2
• Calculated formula: C18.501 H14.002 Cl1.002 F6 I O2
• Title of publication: Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.
• Authors of publication: Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 19
• Pages of publication: 8619 - 8624
• a: 16.2807 ± 0.0004 Å
• b: 12.2181 ± 0.0002 Å
• c: 21.3944 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4255.76 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1518
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No