Information card for entry 2011188

Structure parameters

• Formula: C18 H10 F6
• Calculated formula: C18 H10 F6
• SMILES: C(=C(F)/C(=C(F)/C(=C(\F)c1ccccc1)F)/F)(/F)c1ccccc1
• Title of publication: (1<i>E</i>,3<i>E</i>,5<i>E</i>)-1,2,3,4,5,6-Hexafluoro-1,6-diphenylhexatriene
• Authors of publication: Swenson, Dale C.; Gao, Xiaobang; Burton, Donald J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1040 - 1041
• a: 9.138 ± 0.001 Å
• b: 10.793 ± 0.002 Å
• c: 8.249 ± 0.001 Å
• α: 90.76 ± 0.01°
• β: 94.26 ± 0.01°
• γ: 65.75 ± 0.01°
• Cell volume: 739.6 ± 0.19 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No