Information card for entry 1562422

Structure parameters

• Formula: C35 H27 N O2
• Calculated formula: C35 H27 N O2
• SMILES: O1c2c(c(cc(c3ccc(N4c5c(C(c6c4cccc6)(C)C)cccc5)cc3)c2)C)C(=O)c2c1cccc2
• 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: 9.2312 ± 0.0005 Å
• b: 10.2169 ± 0.0007 Å
• c: 14.6844 ± 0.0008 Å
• α: 76.439 ± 0.005°
• β: 87.971 ± 0.005°
• γ: 67.26 ± 0.006°
• Cell volume: 1239.33 ± 0.14 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0696
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No