Information card for entry 1553097

Structure parameters

• Chemical name: 1,3,5,7,9-pentakis(boronic acid)corannulene cis-cyclopentanediol ester
• Formula: C46 H46 B5 Cl3 O10
• Calculated formula: C46 H46 B5 Cl3 O10
• Title of publication: Boronic esters of corannulene: potential building blocks toward icosahedral supramolecules
• Authors of publication: Da Ros, Sara; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 626
• a: 20.2644 ± 0.0002 Å
• b: 13.18215 ± 0.00013 Å
• c: 8.2499 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2203.78 ± 0.04 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No