Information card for entry 2230142

Structure parameters

• Common name: 2-Quinolin-2-yl-phenolic borodifluoridate
• Chemical name: Difluoro[2-(quinolin-2-yl)phenolato]borane
• Formula: C15 H10 B F2 N O
• Calculated formula: C15 H10 B F2 N O
• SMILES: F[B]1(F)Oc2c(c3[n]1c1ccccc1cc3)cccc2
• Title of publication: Difluoro[2-(quinolin-2-yl)phenolato]borane
• Authors of publication: Yang, Xi; Xia, Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1049
• a: 7.466 ± 0.0015 Å
• b: 8.63 ± 0.0017 Å
• c: 9.342 ± 0.0019 Å
• α: 97.71 ± 0.03°
• β: 95.63 ± 0.03°
• γ: 92.61 ± 0.03°
• Cell volume: 592.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes