Information card for entry 2213300

Structure parameters

• Chemical name: dimesitylborinic acid
• Formula: C18 H23 B O
• Calculated formula: C18 H23 B O
• SMILES: OB(c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C
• Title of publication: A new polymorph of dimesitylborinic acid
• Authors of publication: Entwistle, Christopher D.; Batsanov, Andrei S.; Marder, Todd B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2639 - o2641
• a: 22.89 ± 0.003 Å
• b: 15.233 ± 0.002 Å
• c: 20.552 ± 0.002 Å
• α: 90°
• β: 119.5 ± 0.01°
• γ: 90°
• Cell volume: 6237.1 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes