Information card for entry 7715973

Structure parameters

• Formula: C34 H32 N2 Si2
• Calculated formula: C34 H32 N2 Si2
• SMILES: [Si]1(C)(C)c2c(N(c3c1cccc3)c1cc(N3c4c([Si](C)(C)c5c3cccc5)cccc4)ccc1)cccc2
• 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: 15.0752 ± 0.0011 Å
• b: 11.9578 ± 0.001 Å
• c: 15.9121 ± 0.0011 Å
• α: 90°
• β: 93.715 ± 0.007°
• γ: 90°
• Cell volume: 2862.4 ± 0.4 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No