Information card for entry 1569369

Structure parameters

• Formula: C28 H15 N O2
• Calculated formula: C28 H15 N O2
• SMILES: c12c3ccccc3ccc1C(=O)c1c3N2c2c4ccccc4ccc2C(=O)c3ccc1
• 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: 15.167 ± 0.0004 Å
• b: 10.9238 ± 0.0004 Å
• c: 11.5354 ± 0.0004 Å
• α: 90°
• β: 94.397 ± 0.003°
• γ: 90°
• Cell volume: 1905.57 ± 0.11 ų
• Cell temperature: 293.9 ± 0.2 K
• Ambient diffraction temperature: 293.9 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No