Information card for entry 1562419

Structure parameters

• Formula: C36 H29 N O2
• Calculated formula: C36 H29 N O2
• SMILES: O1c2cccc(c2C(=O)c2c(cc(cc12)c1ccc(N2c3ccccc3C(c3ccccc23)(C)C)cc1)C)C
• Title of publication: A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs
• Authors of publication: Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong
• Journal of publication: Materials Horizons
• Year of publication: 2021
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 2025 - 2031
• a: 9.6146 ± 0.0005 Å
• b: 16.2601 ± 0.0008 Å
• c: 18.3252 ± 0.0009 Å
• α: 110.783 ± 0.005°
• β: 90.71 ± 0.004°
• γ: 101.904 ± 0.004°
• Cell volume: 2609.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.2122
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No