Information card for entry 7203835

Structure parameters

• Chemical name: 2,7-Bis{5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl] -thien-2-yl}-9,9-dihexylfluorene
• Formula: C57 H62 N4 O2 S2
• Calculated formula: C57 H62 N4 O2 S2
• Title of publication: Enhanced electron injection and efficiency in blended-layer organic light emitting diodes with aluminium cathodes: new 2,5-diaryl-1,3,4-oxadiazole‒fluorene hybrids incorporating pyridine units
• Authors of publication: Oyston, Stephen; Wang, Changsheng; Perepichka, Igor F.; Batsanov, Andrei S.; Bryce, Martin R.; Ahn, Jin H.; Petty, Michael C.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 48
• Pages of publication: 5164
• a: 16.095 ± 0.002 Å
• b: 16.647 ± 0.002 Å
• c: 19.39 ± 0.002 Å
• α: 82.61 ± 0.01°
• β: 87.7 ± 0.01°
• γ: 72.94 ± 0.01°
• Cell volume: 4925.4 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1468
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.719
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No