Information card for entry 7158911

Structure parameters

• Formula: C12 H12 Cl F2 N O
• Calculated formula: C12 H12 Cl F2 N O
• SMILES: Clc1ccc(cc1)C1=CC(N(C)C)C(F)(F)O1
• Title of publication: Facial Access to 2,2-Difluoro-2,3-dihydrofuran Skeleton without Extra Additive: DMF-Promoted Difluorocarbene Formation of ClCF2CO2Na
• Authors of publication: Chen, Zunsheng; Xie, Xin; Chen, Weiming; Luo, Nianhua; Li, Xiaoning; Yu, Fuchao; Huang, Jiuzhong
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 8.8005 ± 0.0012 Å
• b: 11.8789 ± 0.0016 Å
• c: 12.2138 ± 0.0017 Å
• α: 90.098 ± 0.011°
• β: 97.747 ± 0.011°
• γ: 110.017 ± 0.013°
• Cell volume: 1187.2 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.22
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No