Information card for entry 7122968

Structure parameters

• Formula: C45 H30 B N S2
• Calculated formula: C45 H30 B N S2
• 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: 9.425 ± 0.005 Å
• b: 28.656 ± 0.014 Å
• c: 12.602 ± 0.006 Å
• α: 90°
• β: 102.554 ± 0.006°
• γ: 90°
• Cell volume: 3322 ± 3 ų
• Cell temperature: 159 ± 2 K
• Ambient diffraction temperature: 159 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No