Information card for entry 1506068

Structure parameters

• Formula: C18 H14 F3 N O3
• Calculated formula: C18 H14 F3 N O3
• SMILES: FC(F)(F)C(=N\c1ccccc1)/OC(=C\c1ccccc1)\C(=O)OC.FC(F)(F)C(=N/c1ccccc1)/OC(=C\c1ccccc1)\C(=O)OC
• Title of publication: 2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.
• Authors of publication: Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 15
• Pages of publication: 3207 - 3210
• a: 11.279 ± 0.002 Å
• b: 13.083 ± 0.003 Å
• c: 13.556 ± 0.003 Å
• α: 101.72 ± 0.03°
• β: 108.92 ± 0.03°
• γ: 106.31 ± 0.03°
• Cell volume: 1718.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No