Information card for entry 1552232

Structure parameters

• Formula: C43 H27 B2 N2 O
• Calculated formula: C43 H27 B2 N2 O
• Title of publication: Selective access to either a doubly boron-doped tetrabenzopentacene or an oxadiborepin from the same precursor
• Authors of publication: Radtke, Julian; Schickedanz, Kai; Bamberg, Marcel; Menduti, Luigi; Schollmeyer, Dieter; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 14.113 ± 0.004 Å
• b: 14.98 ± 0.005 Å
• c: 16.668 ± 0.005 Å
• α: 103.27 ± 0.03°
• β: 101.8 ± 0.02°
• γ: 108.84 ± 0.02°
• Cell volume: 3093.9 ± 1.9 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: 0.3199
• Residual factor for significantly intense reflections: 0.1174
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.2919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No