Information card for entry 4105774

Structure parameters

• Formula: C22 H29 B Br2 O3 Si
• Calculated formula: C22 H29 B Br2 O3 Si
• SMILES: C1(c2ccc(cc2)Br)(c2ccc(cc2)Br)B(O[Si](C)(C)C)OC(C(O1)(C)C)(C)C
• Title of publication: Photochemically Promoted Transition Metal-Free Cross-Coupling of Acylsilanes with Organoboronic Esters
• Authors of publication: Kazuta Ito; Hiroto Tamashima; Nobuharu Iwasawa; Hiroyuki Kusama
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3716 - 3719
• a: 11.106 ± 0.005 Å
• b: 11.266 ± 0.005 Å
• c: 11.436 ± 0.005 Å
• α: 98.365 ± 0.002°
• β: 111.26 ± 0.004°
• γ: 105.751 ± 0.005°
• Cell volume: 1235.1 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No