Information card for entry 4026298

Structure parameters

• Common name: rearranged PDIPA diboron
• Formula: C16 H32 B2 K N O5
• Calculated formula: C16 H32 B2 K N O5
• Title of publication: Structure and Reactivity of a Preactivated sp2-sp3 Diboron Reagent: Catalytic Regioselective Boration of α,β-Unsaturated Conjugated Compounds
• Authors of publication: Ming Gao; Steven B. Thorpe; Christian Kleeberg; Carla Slebodnick; Todd B. Marder; Webster L. Santos
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3997 - 4007
• a: 9.8528 ± 0.0003 Å
• b: 10.1429 ± 0.0003 Å
• c: 10.9377 ± 0.0003 Å
• α: 86.801 ± 0.001°
• β: 83.17 ± 0.001°
• γ: 69.752 ± 0.001°
• Cell volume: 1018.12 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No