Information card for entry 7234249

Structure parameters

• Formula: C11 H10 Cl0.05 N2 O2 P2
• Calculated formula: C10.7273 H8.72727 Cl0.727273 N0.545455 O0.727273 P0.545455
• Title of publication: Triazine-phosphine oxide electron transporter for ultralow-voltage-driven sky blue PHOLEDs
• Authors of publication: Jilin Jia; Liping Zhu; Ying Wei; Zhongbin Wu; Hui Xu; Dongxue Ding; Runfeng Chen; Dongge Ma; Wei Huang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 4890 - 4902
• a: 11.563 ± 0.0004 Å
• b: 25.52 ± 0.0007 Å
• c: 18.8834 ± 0.0005 Å
• α: 90°
• β: 100.77 ± 0.003°
• γ: 90°
• Cell volume: 5474.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0985
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No