Information card for entry 2019589

Structure parameters

• Chemical name: 9-[(Biphenyl-2-yl)oxy]-10-oxa-9-boraphenanthrene
• Formula: C24 H17 B O2
• Calculated formula: C24 H17 B O2
• SMILES: c1ccc(cc1)c1ccccc1OB1Oc2ccccc2c2c1cccc2
• 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: 20.7814 ± 0.001 Å
• b: 10.374 ± 0.0004 Å
• c: 32.6452 ± 0.0019 Å
• α: 90°
• β: 93.427 ± 0.004°
• γ: 90°
• Cell volume: 7025.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes