Information card for entry 1567484

Structure parameters

• Formula: C20 H16 F2 N2 O3
• Calculated formula: C20 H16 F2 N2 O3
• Title of publication: Base-Promoted Cascade β-F-Elimination/Electrocyclization/Diels-Alder/Retro-Diels-Alder Reaction: Efficient Access to δ-Carboline Derivatives
• Authors of publication: Sun, Xi-Shang; Diao, Xin-Yu; Dong, Xiu-Qin; Wang, Chun-Jiang
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 10.4381 ± 0.0004 Å
• b: 17.2549 ± 0.0014 Å
• c: 20.9737 ± 0.0014 Å
• α: 108.139 ± 0.006°
• β: 90.02 ± 0.02°
• γ: 107.606 ± 0.002°
• Cell volume: 3403 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0699
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No