Information card for entry 7237337

Structure parameters

• Formula: C11 H10 N0.11 O2 P
• Calculated formula: C12 H8.88889 N1.33333 O0.444444 P0.444444
• Title of publication: A ternary phosphine oxide host featuring thermally activated delayed fluorescence for blue PHOLEDs with >20% EQE and extremely low roll-offs
• Authors of publication: Li, Chenyu; Fan, Xuefeng; Han, Chunmiao; Xu, Hui
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 25
• Pages of publication: 6747
• a: 8.7349 ± 0.0003 Å
• b: 18.3308 ± 0.0005 Å
• c: 14.1743 ± 0.0005 Å
• α: 90°
• β: 94.763 ± 0.003°
• γ: 90°
• Cell volume: 2261.72 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.073
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No