Information card for entry 4125157

Structure parameters

• Formula: C49 H32 Cl2 F12 I2 O6
• Calculated formula: C49 H32 Cl2 F12 I2 O6
• Title of publication: Pd-Catalyzed Conversion of Alkynyl-λ(3)-iodanes to Alkenyl-λ(3)-iodanes via Stereoselective 1,2-Iodine(III) Shift/1,1-Hydrocarboxylation.
• Authors of publication: Wu, Junliang; Deng, Xiaozhou; Hirao, Hajime; Yoshikai, Naohiko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 29
• Pages of publication: 9105 - 9108
• a: 10.0301 ± 0.0004 Å
• b: 11.1977 ± 0.0005 Å
• c: 12.2876 ± 0.0005 Å
• α: 89.531 ± 0.002°
• β: 71.447 ± 0.002°
• γ: 64.321 ± 0.002°
• Cell volume: 1165.47 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No