Information card for entry 1558012

Structure parameters

• Formula: C43 H28
• Calculated formula: C43 H28
• SMILES: c1c(c2ccccc2)cc(cc1c1ccccc1)c1cc2c3c(cccc3)C3(c2cc1)c1c(c2c3cccc2)cccc1
• Title of publication: Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes
• Authors of publication: Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 4887 - 4894
• a: 11.2023 ± 0.0016 Å
• b: 18.671 ± 0.002 Å
• c: 14.855 ± 0.002 Å
• α: 90°
• β: 108.22 ± 0.005°
• γ: 90°
• Cell volume: 2951.3 ± 0.7 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 2
• 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: 0.0794
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No