Information card for entry 2225654

Structure parameters

• Chemical name: 1,4-Bis(hexyloxy)-2,5-diiodobenzene
• Formula: C18 H28 I2 O2
• Calculated formula: C18 H28 I2 O2
• SMILES: CCCCCCOc1cc(I)c(cc1I)OCCCCCC
• Title of publication: 1,4-Bis(hexyloxy)-2,5-diiodobenzene
• Authors of publication: Thevenet, Damien; Neier, Reinhard; Sereda, Olha; Neels, Antonia; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o837 - o838
• a: 9.4481 ± 0.0009 Å
• b: 7.8455 ± 0.0006 Å
• c: 13.457 ± 0.002 Å
• α: 90°
• β: 92.148 ± 0.012°
• γ: 90°
• Cell volume: 996.8 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes