Information card for entry 7204821

Structure parameters

• Chemical name: octafluoronaphthalene : biphenylene, 1:1 complex
• Formula: C22 H8 F8
• Calculated formula: C22 H8 F8
• SMILES: c1(c(c(c(c2c(c(c(c(c12)F)F)F)F)F)F)F)F.c1cccc2c1c1ccccc21
• 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: 6.446 ± 0.001 Å
• b: 7.142 ± 0.001 Å
• c: 9.751 ± 0.002 Å
• α: 74.46 ± 0.02°
• β: 71.53 ± 0.02°
• γ: 85.97 ± 0.02°
• Cell volume: 410.17 ± 0.14 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: 0.068
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No