Information card for entry 7234824

Structure parameters

• Formula: C32 H21 N6 O0.5
• Calculated formula: C32 H20 N6 O0.5
• Title of publication: Design, synthesis, characterization and application of a novel electron-deficient moiety 1,5-diazacarbazole in high triplet energy host materials
• Authors of publication: Jianghong Tan; Bo Wang; Zhi Huang; Xialei Lv; Wei Yi; Shaoqing Zhuang; Lei Wang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 5222 - 5230
• a: 18.517 ± 0.003 Å
• b: 18.517 ± 0.003 Å
• c: 7.2125 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2473 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No