Information card for entry 1100687

Structure parameters

• Formula: C22 H22 I3 O2 P
• Calculated formula: C22 H22 I3 O2 P
• SMILES: [I-](I)I.[P+](CC(=O)OCC)(c1ccccc1)(c1ccccc1)c1ccccc1
• a: 10.935 ± 0.003 Å
• b: 13.921 ± 0.003 Å
• c: 17.152 ± 0.005 Å
• α: 89.795 ± 0.009°
• β: 78.487 ± 0.009°
• γ: 89.933 ± 0.009°
• Cell volume: 2558.4 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0772
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No