Information card for entry 2218222

Structure parameters

• Chemical name: 4,4'-diiodo-3,3'-dimethoxybiphenyl
• Formula: C14 H12 I2 O2
• Calculated formula: C14 H12 I2 O2
• SMILES: COc1cc(ccc1I)c1ccc(c(c1)OC)I
• Title of publication: 4,4'-Diiodo-3,3'-dimethoxybiphenyl
• Authors of publication: Ali, Qamar; Shah, Muhammad Raza; VanDerveer, Donald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o910
• a: 6.8616 ± 0.0014 Å
• b: 7.7386 ± 0.0015 Å
• c: 13.435 ± 0.003 Å
• α: 90°
• β: 102.43 ± 0.03°
• γ: 90°
• Cell volume: 696.7 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0247
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes