Information card for entry 1551290

Structure parameters

• Common name: FBpin?nPr2Im
• Formula: C15 H28 B F N2 O2
• Calculated formula: C15 H28 B F N2 O2
• SMILES: F[B]1(OC(C(O1)(C)C)(C)C)=C1N(C=CN1CCC)CCC
• Title of publication: FBpin and its Adducts and their Role in Catalytic Borylations
• Authors of publication: Kuehn, Laura; Stang, Martin; Würtemberger-Pietsch, Sabrina; Friedrich, Alexandra; Schneider, Heidi; Radius, Udo; Marder, Todd B.
• Journal of publication: Faraday Discussions
• Year of publication: 2019
• a: 24.782 ± 0.007 Å
• b: 24.782 ± 0.007 Å
• c: 14.217 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7562 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No