Information card for entry 4315858

Structure parameters

• Formula: C16 H14 Cl2 I2 O5
• Calculated formula: C16 H14 Cl2 I2 O5
• SMILES: [I](OC(=O)CCl)(O[I](OC(=O)CCl)c1ccccc1)c1ccccc1
• Title of publication: Anhydrides of Real and Hypothetical [Hydroxy(R-O)iodo]benzenes
• Authors of publication: Helen W. Richter; Noel M. Paul; Dale G. Ray; Charlotte A. Ray; Louise M. Liable-Sands; Tom Concolino; Matthew Lam; Arnold L. Rheingold; Gerald F. Koser; James A. Golen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5413 - 5423
• a: 9.7488 ± 0.0002 Å
• b: 22.0264 ± 0.0003 Å
• c: 18.201 ± 0.0002 Å
• α: 90°
• β: 90.516 ± 0.001°
• γ: 90°
• Cell volume: 3908.16 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No