Information card for entry 2016223

Structure parameters

• Common name: tetraphenyldiboroxane
• Chemical name: oxybis(diphenylborane)
• Formula: C24 H20 B2 O
• Calculated formula: C24 H20 B2 O
• SMILES: O(B(c1ccccc1)c1ccccc1)B(c1ccccc1)c1ccccc1
• Title of publication: A new polymorph of tetraphenyldiboroxane
• Authors of publication: Kaufmann, Linda; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o588 - o590
• a: 10.1489 ± 0.0011 Å
• b: 19.2851 ± 0.0016 Å
• c: 10.1658 ± 0.0011 Å
• α: 90°
• β: 100.286 ± 0.008°
• γ: 90°
• Cell volume: 1957.7 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes