Information card for entry 2237842

Structure parameters

• Common name: (<i>E</i>,<i>E</i>,<i>E</i>)-1,6-Bis(4-chlorophenyl)hexa-1,3,5-triene
• Chemical name: <i>trans</i>,<i>trans</i>,<i>trans</i>-1,6-Bis(4-chlorophenyl)hexa-1,3,5-triene
• Formula: C18 H14 Cl2
• Calculated formula: C18 H14 Cl2
• SMILES: Clc1ccc(cc1)/C=C/C=C/C=C/c1ccc(cc1)Cl
• Title of publication: (<i>E</i>,<i>E</i>,<i>E</i>)-1,6-Bis(4-chlorophenyl)hexa-1,3,5-triene
• Authors of publication: Li, Zhiying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o699
• a: 15.6277 ± 0.0007 Å
• b: 4.0784 ± 0.0002 Å
• c: 12.1026 ± 0.0005 Å
• α: 90°
• β: 105.81 ± 0.004°
• γ: 90°
• Cell volume: 742.19 ± 0.06 ų
• Cell temperature: 290.51 ± 0.1 K
• Ambient diffraction temperature: 290.51 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes