Information card for entry 7203402

Structure parameters

• Common name: 2,5-Bis(2-(4-diphenylaminophenyl)-1,3,4-oxadiazol-5- yl)pyridine, deuterochloroform trisolvate
• Chemical name: 2,5-Bis[2-(4-diphenylaminophenyl)-1,3,4-oxadiazol-5- yl]pyridine, deuterochloroform trisolvate
• Formula: C48 H31 Cl9 D3 N7 O2
• Calculated formula: C48 H31 Cl9 D3 N7 O2
• 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: 21.462 ± 0.006 Å
• b: 9.581 ± 0.003 Å
• c: 23.428 ± 0.006 Å
• α: 90°
• β: 96.48 ± 0.02°
• γ: 90°
• Cell volume: 4787 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.681
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No