Information card for entry 7051205

Structure parameters

• Chemical name: perfluoronaphthalene pyrene complex (1:1)
• Formula: C26 H10 F8
• Calculated formula: C26 H10 F8
• SMILES: c1(c(c(c(c2c(c(c(c(c12)F)F)F)F)F)F)F)F.c1cc2c3c(c1)ccc1cccc(cc2)c31
• Title of publication: Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons
• Authors of publication: Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 1410 - 1417
• a: 6.725 ± 0.001 Å
• b: 8.864 ± 0.001 Å
• c: 9.488 ± 0.001 Å
• α: 107.51 ± 0.01°
• β: 105.23 ± 0.01°
• γ: 106.82 ± 0.01°
• Cell volume: 476.9 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0771
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No