Information card for entry 4514374

Structure parameters

• Formula: C50 H35 N3 O2
• Calculated formula: C50 H35 N3 O2
• SMILES: n1(c2ccc(c3cc4c(cc3c3ccc(n5c6c(c7c5cccc7)cccc6)cc3)C(=O)N(C4=O)/C=C/C/C=C/C)cc2)c2ccccc2c2c1cccc2
• Title of publication: Efficient Blue and Yellow Organic Light-Emitting Diodes Enabled by Aggregation-Induced Emission.
• Authors of publication: Venkatramaiah, N.; Kumar, G. Dinesh; Chandrasekaran, Yogesh; Ganduri, Ramesh; Patil, Satish
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 3838 - 3847
• a: 15.4604 ± 0.0006 Å
• b: 15.103 ± 0.0006 Å
• c: 17.6028 ± 0.0006 Å
• α: 90°
• β: 96.846 ± 0.003°
• γ: 90°
• Cell volume: 4080.9 ± 0.3 ų
• Cell temperature: 100 ± 10 K
• Ambient diffraction temperature: 100 ± 10 K
• Number of distinct elements: 4
• 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: 0.1683
• Residual factor for significantly intense reflections: 0.1279
• Weighted residual factors for significantly intense reflections: 0.3043
• Weighted residual factors for all reflections included in the refinement: 0.3252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No