Information card for entry 7118559

Structure parameters

• Common name: benzofuran-based cage-dhaped borate
• Chemical name: 4?THF
• Formula: C29 H21 B O7
• Calculated formula: C29 H21 B O7
• SMILES: O1c2c(C3c4c(O[B]1(Oc1ccc5occc5c31)[O]1CCCC1)ccc1occc41)c1ccoc1cc2
• Title of publication: Synthesis, characterization, and properties of a benzofuran-based cage-shaped borate: photo activation of Lewis acid catalysts.
• Authors of publication: Konishi, Akihito; Yasunaga, Ryosuke; Chiba, Kouji; Yasuda, Makoto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 16
• Pages of publication: 3348 - 3351
• a: 14.2762 ± 0.0003 Å
• b: 10.1806 ± 0.00018 Å
• c: 17.0287 ± 0.0003 Å
• α: 90°
• β: 109.886 ± 0.001°
• γ: 90°
• Cell volume: 2327.38 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 3.326
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No