Information card for entry 7031221

Structure parameters

• Formula: C21 H27 B K N O
• Calculated formula: C21 H27 B K N O
• SMILES: [K][O]1CCCC1.N1(C=c2ccccc2=[B]1c1ccccc1)C(C)(C)C
• Title of publication: Reduction of C,N-chelated chloroborane: straightforward formation of the unprecedented 1H-2,1-benzazaborolyl potassium salt.
• Authors of publication: Hejda, Martin; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9012 - 9015
• a: 10.58 ± 0.0004 Å
• b: 10.1062 ± 0.0006 Å
• c: 10.651 ± 0.0006 Å
• α: 90°
• β: 117.187 ± 0.003°
• γ: 90°
• Cell volume: 1013.02 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No