Information card for entry 7200793

Structure parameters

• Common name: 4,4'-diphenylethnyl-2,2'-bipyridine, hexafluorobenzene
• Chemical name: 4,4'-diphenylethnyl-2,2'-bipyridine, hexafluorobenzene
• Formula: C32 H16 F6 N2
• Calculated formula: C32 H16 F6 N2
• SMILES: c1(nccc(C#Cc2ccccc2)c1)c1cc(ccn1)C#Cc1ccccc1.Fc1c(F)c(F)c(F)c(F)c1F
• Title of publication: Luminescence from π‒π stacked bipyridines through arene‒perfluoroarene interactions
• Authors of publication: Hori, Akiko; Takatani, Shohei; Miyamoto, Takeshi K.; Hasegawa, Miki
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 567
• a: 10.7927 ± 0.0012 Å
• b: 11.3308 ± 0.0013 Å
• c: 10.4449 ± 0.0012 Å
• α: 90°
• β: 107.464 ± 0.001°
• γ: 90°
• Cell volume: 1218.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No