Information card for entry 7118849

Structure parameters

• Formula: C32 H14 B2 Cl2 F15 N O2
• Calculated formula: C32 H14 B2 Cl2 F15 N O2
• Title of publication: Tautomerization of 2,6-lutidines in the presence of B(C6F5)3 using catecholborane as a precatalyst.
• Authors of publication: Zheng, Junhao; Fan, Xiaoting; Zhou, Benyu; Li, Zhen Hua; Wang, Huadong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 25
• Pages of publication: 4655 - 4658
• a: 11.253 ± 0.002 Å
• b: 11.41 ± 0.002 Å
• c: 14.135 ± 0.003 Å
• α: 69.313 ± 0.003°
• β: 74.449 ± 0.003°
• γ: 84.848 ± 0.004°
• Cell volume: 1635.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1992
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.2991
• Weighted residual factors for all reflections included in the refinement: 0.3546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No