Information card for entry 7715974

Structure parameters

• Formula: C48 H45 N3 Si3
• Calculated formula: C48 H45 N3 Si3
• Title of publication: Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes
• Authors of publication: Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 12.6858 ± 0.0008 Å
• b: 12.6858 ± 0.0008 Å
• c: 14.316 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1995.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No