Information card for entry 7715977

Structure parameters

• Formula: C43.75 H29 B2 N3
• Calculated formula: C43.75 H29 B2 N3
• 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: 13.4369 ± 0.0008 Å
• b: 15.3305 ± 0.0009 Å
• c: 16.2651 ± 0.001 Å
• α: 93.335 ± 0.005°
• β: 104.594 ± 0.005°
• γ: 95.069 ± 0.005°
• Cell volume: 3218.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No