Information card for entry 7116659

Structure parameters

• Common name: murai-sp3-B-F
• Chemical name: [N-(9-Borabicyclo[3.3.1]non-9-ylmethyl)-5-fluoropyridin-2-yl]-N-methylamine
• Formula: C15 H22 B F N2
• Calculated formula: C15 H22 B F N2
• SMILES: Fc1c[n]2c(N(C)C[B]32C2CCCC3CCC2)cc1
• Title of publication: Rhenium-catalysed dehydrogenative borylation of primary and secondary C(sp^3^)-H bonds adjacent to a nitrogen atom
• Authors of publication: Masahito Murai; Tetsuya Omura; Yoichiro Kuninobu; Kazuhiko Takai
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4583
• a: 7.486 ± 0.007 Å
• b: 9.564 ± 0.009 Å
• c: 10.597 ± 0.011 Å
• α: 75.8 ± 0.04°
• β: 76.99 ± 0.04°
• γ: 75.35 ± 0.04°
• Cell volume: 700.8 ± 1.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No