Information card for entry 1518582

Structure parameters

• Formula: C17 H14 F N O3
• Calculated formula: C17 H14 F N O3
• SMILES: N1([C@H](c2ccccc2)COC1=O)C(=O)[C@H](F)c1ccccc1
• Title of publication: A Highly Regio- and Stereoselective Synthesis of α-Fluorinated Imides via Fluorination of Chiral Enamides.
• Authors of publication: Xu, Yan-Shuang; Tang, Yu; Feng, He-Jing; Liu, Ji-Tian; Hsung, Richard P.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 572 - 575
• a: 6.5754 ± 0.0013 Å
• b: 10.311 ± 0.002 Å
• c: 11.071 ± 0.002 Å
• α: 90°
• β: 95.19 ± 0.03°
• γ: 90°
• Cell volume: 747.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No