Information card for entry 7203401

Structure parameters

• Common name: 2-(4-tert-Butylphenyl)-5-(4-(9,9-dihexyl-2-bromofluoren-7- yl)phenyl)-1,3,4-oxadiazole
• Chemical name: 2-(4-tert-Butylphenyl)-5-[4-(9,9-dihexyl-2-bromofluoren-7- yl)phenyl]-1,3,4-oxadiazole
• Formula: C43 H49 Br N2 O
• Calculated formula: C43 H49 Br N2 O
• Title of publication: New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules
• Authors of publication: Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 3823
• a: 10.945 ± 0.005 Å
• b: 12.714 ± 0.003 Å
• c: 13.128 ± 0.004 Å
• α: 96.1 ± 0.01°
• β: 93.84 ± 0.01°
• γ: 94.38 ± 0.01°
• Cell volume: 1806 ± 1.1 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: 0.0518
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No