Information card for entry 4130945

Structure parameters

• Formula: C10 H9 F2 I O4
• Calculated formula: C7.75 H6.75 F2 I O4
• Title of publication: Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.
• Authors of publication: Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 39
• Pages of publication: 12747 - 12750
• a: 4.7135 ± 0.0004 Å
• b: 14.0456 ± 0.0013 Å
• c: 17.2837 ± 0.0016 Å
• α: 90°
• β: 97.432 ± 0.003°
• γ: 90°
• Cell volume: 1134.64 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No