Information card for entry 1569368

Structure parameters

• Formula: C24 H13 N O2
• Calculated formula: C24 H13 N O2
• SMILES: O=C1c2c(N3c4c(C(=O)c5cccc1c35)ccc1c4cccc1)cccc2
• 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: 8.0822 ± 0.0016 Å
• b: 11.034 ± 0.0019 Å
• c: 11.143 ± 0.002 Å
• α: 61.646 ± 0.006°
• β: 69.236 ± 0.004°
• γ: 83.968 ± 0.006°
• Cell volume: 815.3 ± 0.3 ų
• Cell temperature: 308 ± 2 K
• Ambient diffraction temperature: 308 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No