Information card for entry 4022896

Structure parameters

• Formula: C20 H20 B N3 O8
• Calculated formula: C20 H20 B N3 O8
• Title of publication: Nitro-Substituted Stilbeneboronate Pinacol Esters and Their Fluoro-Adducts. Fluoride Ion Induced Polarity Enhancement of Arylboronate Esters
• Authors of publication: Alexander Oehlke; Alexander A. Auer; Ina Jahre; Bernhard Walfort; Tobias Rüffer; Petra Zoufalá; Heinrich Lang; Stefan Spange
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 4328 - 4339
• a: 7.0791 ± 0.0015 Å
• b: 8.5022 ± 0.0019 Å
• c: 18.497 ± 0.004 Å
• α: 79.652 ± 0.004°
• β: 79.306 ± 0.004°
• γ: 79.706 ± 0.004°
• Cell volume: 1064 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No