Information card for entry 7245805

Structure parameters

• Formula: C14 H16 F2 N2 O3
• Calculated formula: C14 H16 F2 N2 O3
• Title of publication: Effects of fluorine bonding and nonbonding interactions on 19F chemical shifts
• Authors of publication: Lu, Yang; Sun, Mingming; Xi, Ning
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 49
• Pages of publication: 32082 - 32096
• a: 8.279 ± 0.0005 Å
• b: 8.808 ± 0.0005 Å
• c: 10.5654 ± 0.0006 Å
• α: 110.521 ± 0.005°
• β: 98.07 ± 0.005°
• γ: 95.404 ± 0.005°
• Cell volume: 705.82 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No