Information card for entry 1552512

Structure parameters

• Formula: C55 H55 B Ge N2 S
• Calculated formula: C55 H55 B Ge N2 S
• SMILES: S1c2ccccc2B(c2c1cc(cc2)N1c2ccc(cc2[Ge](c2c1ccc(c2)C)(c1ccccc1)c1ccccc1)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.CC#N
• Title of publication: Blue thermally activated delayed fluorescence emitters incorporating acridan analogues with heavy group 14 elements for high-efficiency doped and non-doped OLEDs
• Authors of publication: Matsuo, Kyohei; Yasuda, Takuma
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 14.0919 ± 0.0002 Å
• b: 9.1097 ± 0.0001 Å
• c: 36.2632 ± 0.0006 Å
• α: 90°
• β: 100.447 ± 0.002°
• γ: 90°
• Cell volume: 4578.05 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0384
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No