Information card for entry 7213038

Structure parameters

• Formula: C20 H21 F N2
• Calculated formula: C20 H21 F N2
• Title of publication: Face selectivity in the reactions of Grignard reagents with 5-substituted-2-dicyanomethyleneadamantanes
• Authors of publication: Kao, Kuo-Hsi; Sheu, Ren-Shyang; Chen, Yuh-Shih; Lin, Wen-Wei; Liu, Ju-Tsung; Yao, Ching-Fa
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2383
• a: 7.5393 ± 0.0009 Å
• b: 9.1199 ± 0.001 Å
• c: 23.597 ± 0.005 Å
• α: 90°
• β: 95.474 ± 0.013°
• γ: 90°
• Cell volume: 1615.1 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.079
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 1.83
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No