Information card for entry 4026598

Structure parameters

• Formula: C20 H24 B F4 N O
• Calculated formula: C20 H24 B F4 N O
• Title of publication: Spectroscopic and X-ray Crystallographic Evidence for Electrostatic Effects in 4-Substituted Cyclohexanone-Derived Hydrazones, Imines, and Corresponding Salts
• Authors of publication: David J. Dibble; Joseph W. Ziller; K. A. Woerpel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 7706 - 7719
• a: 28.416 ± 0.005 Å
• b: 11.6122 ± 0.0019 Å
• c: 12.493 ± 0.002 Å
• α: 90°
• β: 113.211 ± 0.003°
• γ: 90°
• Cell volume: 3788.7 ± 1.1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No