Information card for entry 7133948

Structure parameters

• Formula: C8 H10 I O5 P
• Calculated formula: C8 H10 I O5 P
• Title of publication: Synthesis of phosphate-stabilized iodanes and their application in intramolecular aryl migrations
• Authors of publication: Koch, Jan Rick; Damrath, Mattis; Nachtsheim, Boris Johannes; Puylaert, Pim
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 22.585 ± 0.003 Å
• b: 4.466 ± 0.0006 Å
• c: 22.66 ± 0.003 Å
• α: 90°
• β: 99.875 ± 0.004°
• γ: 90°
• Cell volume: 2251.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No