Information card for entry 7122969

Structure parameters

• Formula: C58 H58 B N O3
• Calculated formula: C58 H58 B N O3
• Title of publication: Boronate- and borinate-based π-systems for blue thermally activated delayed fluorescence materials
• Authors of publication: Matsuo, Kyohei; Yasuda, Takuma
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 19.767 ± 0.013 Å
• b: 24.55 ± 0.016 Å
• c: 9.996 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4851 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No