Information card for entry 7130888

Structure parameters

• Formula: C18 H15 F N2 O2
• Calculated formula: C18 H15 F N2 O2
• Title of publication: Substrate-controlled product divergence in the reaction of α–fluoro–β-ketoamides with arynes
• Authors of publication: Chandrasekharan, Sanoop P.; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.912 ± 0.002 Å
• b: 13.614 ± 0.003 Å
• c: 14.075 ± 0.004 Å
• α: 90°
• β: 101.443 ± 0.008°
• γ: 90°
• Cell volume: 1485.9 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No