Information card for entry 7213037

Structure parameters

• Formula: C14 H17 F N2
• Calculated formula: C14 H17 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: 8.767 ± 0.004 Å
• b: 24.309 ± 0.006 Å
• c: 12.476 ± 0.004 Å
• α: 90°
• β: 110.44 ± 0.03°
• γ: 90°
• Cell volume: 2491.4 ± 1.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.295
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections: 0.237
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for significantly intense reflections: 0.56
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No