Information card for entry 2240642

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-<i>tert</i>-Butylphenyl)-2-(4-iodophenyl)ethene
• Formula: C18 H19 I
• Calculated formula: C18 H19 I
• SMILES: Ic1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C
• Title of publication: Crystal structure of (<i>E</i>)-1-(4-<i>tert</i>-butylphenyl)-2-(4-iodophenyl)ethene
• Authors of publication: Chen, Zhiwei; Moxey, Graeme J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o309 - o310
• a: 32.5385 ± 0.0009 Å
• b: 6.10513 ± 0.00015 Å
• c: 15.8615 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3150.92 ± 0.13 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes