Information card for entry 1569370

Structure parameters

• Formula: C30 H23 N O4
• Calculated formula: C30 H23 N O4
• SMILES: c12c(c(C(=O)OC)ccc2cccc1)N(c1ccccc1)c1c2c(cccc2)ccc1C(=O)OC
• Title of publication: Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.
• Authors of publication: Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong
• Journal of publication: Materials horizons
• Year of publication: 2023
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 3785 - 3790
• a: 14.7721 ± 0.0008 Å
• b: 14.0494 ± 0.0008 Å
• c: 12.9393 ± 0.0007 Å
• α: 90°
• β: 120.406 ± 0.003°
• γ: 90°
• Cell volume: 2316.1 ± 0.2 ų
• Cell temperature: 197 ± 2 K
• Ambient diffraction temperature: 197 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No