Information card for entry 1557553

Structure parameters

• Chemical name: cis-1,4-bis(4-iodophenyl)cyclohex-2-ene-1,4-diol
• Formula: C145 H133 Cl3 I16 O18
• Calculated formula: C145 H133 Cl3 I16 O18
• Title of publication: Controlled synthesis of unsubstituted high molecular weight poly(para-phenylene) via Suzuki polycondensation-thermal aromatization methodology
• Authors of publication: Pavlović, Dražen; Cohen, Shmuel
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 2550 - 2558
• a: 10.85 ± 0.002 Å
• b: 31.002 ± 0.006 Å
• c: 11.243 ± 0.002 Å
• α: 90°
• β: 96.637 ± 0.003°
• γ: 90°
• Cell volume: 3756.5 ± 1.2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No