Information card for entry 7130770

Structure parameters

• Formula: C15 H14 F N O4
• Calculated formula: C15 H14 F N O4
• Title of publication: High Pressure promoted Dearomatization of Nitroarenes by [4+2] Cycloadditions with Silyloxydienes
• Authors of publication: Rkein, Batoul; Coffinier, Romain; Powderly, Marian; Manneveau, Maxime; Sanselme, Morgane; Durandetti, Muriel; Sebban, Muriel; Hamdoun, Ghanem; Oulyadi, Hassan; Harrowven, David; Legros, Julien; Chataigner, Isabelle
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.5797 ± 0.0018 Å
• b: 8.1298 ± 0.0012 Å
• c: 13.6651 ± 0.0019 Å
• α: 90°
• β: 104.883 ± 0.003°
• γ: 90°
• Cell volume: 1350.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No