Information card for entry 1552509

Structure parameters

• Formula: C53 H52 B N S Si
• Calculated formula: C53 H52 B N S Si
• SMILES: B1(c2c(cccc2)Sc2cc(N3c4ccc(cc4[Si](c4ccccc4)(c4c3ccc(c4)C)c3ccccc3)C)ccc12)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• 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: 16.28 ± 0.03 Å
• b: 8.916 ± 0.015 Å
• c: 30.47 ± 0.05 Å
• α: 90°
• β: 97.92 ± 0.03°
• γ: 90°
• Cell volume: 4381 ± 13 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.1209
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No