Information card for entry 4002037

Structure parameters

• Formula: C18 H18 I4
• Calculated formula: C18 H18 I4
• SMILES: Ic1c(c(c2c(c(I)c(c(I)c2C)C)C)c(c(I)c1C)C)C
• Title of publication: Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area
• Authors of publication: Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 4589
• a: 13.334 ± 0.003 Å
• b: 20.948 ± 0.004 Å
• c: 15.971 ± 0.003 Å
• α: 90°
• β: 114.402 ± 0.002°
• γ: 90°
• Cell volume: 4062.5 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No