Information card for entry 4127996

Structure parameters

• Formula: C26 H36 F3 I O9 S
• Calculated formula: C26 H36 F3 I O9 S
• SMILES: [I+](c1ccccc1C(=O)OCC(=O)OCCCCCC)C1(CC1)C(=O)OCCCCCC.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Catalytic Cleavage of C(<i>sp</i>²)-C(<i>sp</i>²) Bonds with Rh-Carbynoids.
• Authors of publication: Wang, Zhaofeng; Jiang, Liyin; Sarró, Pau; Suero, Marcos G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 39
• Pages of publication: 15509 - 15514
• a: 9.0628 ± 0.0013 Å
• b: 9.3343 ± 0.0014 Å
• c: 18.632 ± 0.003 Å
• α: 92.924 ± 0.004°
• β: 100.635 ± 0.004°
• γ: 93.078 ± 0.005°
• Cell volume: 1543.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No