Information card for entry 7204228

Structure parameters

• Chemical name: 2,4-bis[2-(4-tert-butylphenyl)-1,3,4-oxadiazol-5-yl]pyridine
• Formula: C29 H29 N5 O2
• Calculated formula: C29 H29 N5 O2
• Title of publication: New electron-transporting materials for light emitting diodes: 1,3,4-oxadiazole–pyridine and 1,3,4-oxadiazole–pyrimidine hybrids
• Authors of publication: Wang, Changsheng; Jung, Gun-Young; Batsanov, Andrei S.; Bryce, Martin R.; Petty, Michael C.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 173
• a: 18.7544 ± 0.0012 Å
• b: 11.6181 ± 0.0007 Å
• c: 11.4838 ± 0.0007 Å
• α: 90°
• β: 90.221 ± 0.004°
• γ: 90°
• Cell volume: 2502.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.066
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No