Information card for entry 7237488

Structure parameters

• Chemical name: PXZ2PTO
• Formula: C30 H20 N2 O3 S
• Calculated formula: C30 H20 N2 O3 S
• Title of publication: Highly efficient non-doped OLEDs using aggregation-induced delayed fluorescence materials based on 10-phenyl-10H-phenothiazine 5,5-dioxide derivatives
• Authors of publication: Xiang, Songpo; Huang, Zhi; Sun, Shuaiqiang; Lv, Xialei; Fan, Lianwei; Ye, Shaofeng; Chen, Hongting; Guo, Runda; Wang, Lei
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 42
• Pages of publication: 11436
• a: 7.74804 ± 0.00007 Å
• b: 30.9577 ± 0.0002 Å
• c: 9.60423 ± 0.00007 Å
• α: 90°
• β: 100.899 ± 0.0008°
• γ: 90°
• Cell volume: 2262.13 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No