Information card for entry 2012303

Structure parameters

• Chemical name: hexafluorobenzene‒trans-stilbene (1/1)
• Formula: C20 H12 F6
• Calculated formula: C20 H12 F6
• SMILES: c1ccc(cc1)/C=C/c1ccccc1.Fc1c(F)c(F)c(c(c1F)F)F
• Title of publication: Arene‒perfluoroarene interactions in crystal engineering. 4. Hexafluorobenzene‒<i>trans</i>-stilbene (1/1)
• Authors of publication: Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.; Robins, Edward G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1303 - 1305
• a: 11.401 ± 0.003 Å
• b: 6.118 ± 0.002 Å
• c: 12.262 ± 0.004 Å
• α: 90°
• β: 107.09 ± 0.02°
• γ: 90°
• Cell volume: 817.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.107
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes