Information card for entry 4026864

Structure parameters

• Common name: bis(pinacolate)diborane(4)
• Chemical name: 4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl-4',4',5', 5'-tetramethyl-1',3',2'-dioxaborolane
• Formula: C12 H24 B2 O4
• Calculated formula: C12 H24 B2 O4
• Title of publication: Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State
• Authors of publication: Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 785 - 789
• a: 10.2834 ± 0.0009 Å
• b: 7.4809 ± 0.0006 Å
• c: 10.1672 ± 0.0008 Å
• α: 90°
• β: 110.478 ± 0.01°
• γ: 90°
• Cell volume: 732.73 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No