Information card for entry 7715975

Structure parameters

• Formula: C30 H20 B2 Br2 N2
• Calculated formula: C30 H20 B2 Br2 N2
• 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 (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 9294 - 9300
• a: 10.4916 ± 0.0015 Å
• b: 11.482 ± 0.0012 Å
• c: 12.0304 ± 0.0012 Å
• α: 66.894 ± 0.009°
• β: 72.833 ± 0.01°
• γ: 80.133 ± 0.01°
• Cell volume: 1271 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No