Information card for entry 7234456

Structure parameters

• Formula: C11 H10 N O2 P
• Calculated formula: C12.0938 H8.4375 N0.84375 O0.28125 P0.28125
• Title of publication: Ternary donor-acceptor phosphine oxide hosts with peculiar high energy gap for efficient blue electroluminescence
• Authors of publication: Mingzhi Sun; Liping Zhu; Wenjing Kan; Ying Wei; Dongge Ma; Xuefeng Fan; Wei Huang; Hui Xu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 9469 - 9478
• a: 45.0597 ± 0.0017 Å
• b: 45.0597 ± 0.0017 Å
• c: 9.1311 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16055.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1882
• 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: No
• Has Fobs: No