Information card for entry 1562420

Structure parameters

• Formula: C35 H27 N O2
• Calculated formula: C35 H27 N O2
• SMILES: O1c2c(C(=O)c3c1cccc3C)ccc(c1ccc(N3c4c(C(c5c3cccc5)(C)C)cccc4)cc1)c2
• 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: 9.25345 ± 0.00019 Å
• b: 34.5061 ± 0.0006 Å
• c: 8.13039 ± 0.00016 Å
• α: 90°
• β: 106.251 ± 0.002°
• γ: 90°
• Cell volume: 2492.31 ± 0.09 ų
• Cell temperature: 296.82 ± 0.11 K
• Ambient diffraction temperature: 296.82 ± 0.11 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: 0.0694
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No