Information card for entry 2019586

Structure parameters

• Chemical name: Tris(biphenyl-2-yl) borate
• Formula: C36 H27 B O3
• Calculated formula: C36 H27 B O3
• SMILES: c1ccc(cc1)c1ccccc1OB(Oc1ccccc1c1ccccc1)Oc1ccccc1c1ccccc1
• Title of publication: Packing considerations of 10-oxa-9-boraphenanthrene derivatives
• Authors of publication: Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 662 - 667
• a: 13.9098 ± 0.0017 Å
• b: 10.1293 ± 0.0008 Å
• c: 19.485 ± 0.002 Å
• α: 90°
• β: 100.966 ± 0.01°
• γ: 90°
• Cell volume: 2695.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1328
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes