Information card for entry 7204820

Structure parameters

• Chemical name: octafluoronaphthalene : biphenyl, 1:1 complex
• Formula: C22 H10 F8
• Calculated formula: C22 H10 F8
• SMILES: c1(c(F)c2c(c(c(c(c2F)F)F)F)c(c1F)F)F.c1(ccccc1)c1ccccc1
• Title of publication: Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1.
• Authors of publication: Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 25
• a: 7.3564 ± 0.0002 Å
• b: 6.2253 ± 0.0002 Å
• c: 18.6804 ± 0.0006 Å
• α: 90°
• β: 97.946 ± 0.001°
• γ: 90°
• Cell volume: 847.27 ± 0.04 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No