Information card for entry 7133947

Structure parameters

• Formula: C16 H18 I O4 P
• Calculated formula: C16 H18 I O4 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: 10.5418 ± 0.0005 Å
• b: 12.7822 ± 0.0005 Å
• c: 13.0647 ± 0.0006 Å
• α: 97.395 ± 0.002°
• β: 95.008 ± 0.002°
• γ: 107.951 ± 0.002°
• Cell volume: 1645.7 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No