Information card for entry 2218909

Structure parameters

• Chemical name: 4-Iodo-3,3'-dimethoxybiphenyl
• Formula: C14 H13 I O2
• Calculated formula: C14 H13 I O2
• SMILES: Ic1c(cc(cc1)c1cccc(c1)OC)OC
• Title of publication: 4-Iodo-3,3'-dimethoxybiphenyl
• Authors of publication: Ali, Qamar; Hussain, Zahid; Shah, Muhammad Raza; VanDerveer, Donald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1377
• a: 11.932 ± 0.002 Å
• b: 15.382 ± 0.003 Å
• c: 6.994 ± 0.0014 Å
• α: 90°
• β: 90.68 ± 0.03°
• γ: 90°
• Cell volume: 1283.6 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes