Information card for entry 7212927

Structure parameters

• Formula: C50 H38 O4
• Calculated formula: C50 H38 O4
• SMILES: c1ccc2ccccc2c1c1ccc(cc1)c1c2c(c(c3ccc(c4cccc5ccccc45)cc3)c3c1cc(OC)c(OC)c3)cc(OC)c(OC)c2
• Title of publication: High performance organic light-emitting diodes based on tetra(methoxy)-containing anthracene derivatives as a hole transport and electron-blocking layer
• Authors of publication: Xia, Zhen-Yuan; Su, Jian-Hua; Wong, Wai-Yeung; Wang, Lei; Cheah, Kok-Wai; Tian, He; Chen, Chin H.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 38
• Pages of publication: 8382
• a: 9.3331 ± 0.0011 Å
• b: 10.1235 ± 0.0012 Å
• c: 10.4203 ± 0.0012 Å
• α: 70.577 ± 0.002°
• β: 74.534 ± 0.002°
• γ: 88.29 ± 0.002°
• Cell volume: 893.02 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No