Information card for entry 7114605

Structure parameters

• Formula: C22 H25 B F4 N2
• Calculated formula: C22 H25 B F4 N2
• Title of publication: Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities
• Authors of publication: Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7163
• a: 9.802 ± 0.013 Å
• b: 19 ± 0.03 Å
• c: 11.112 ± 0.015 Å
• α: 90°
• β: 91.156 ± 0.012°
• γ: 90°
• Cell volume: 2069 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2913
• Residual factor for significantly intense reflections: 0.1613
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No