Information card for entry 1543939

Structure parameters

• Formula: C23 H29 F O2
• Calculated formula: C23 H29 F O2
• SMILES: FC(=C(\Oc1ccc(OCc2ccccc2)cc1)C(C)(C)C)\C(C)(C)C
• Title of publication: Sterically Controlled Cu-Catalyzed or Transition-Metal-Free Cross-Coupling of gem-Difluoroalkenes with Tertiary, Secondary, and Primary Alkyl Grignard Reagents.
• Authors of publication: Dai, Wenpeng; Shi, Hongyan; Zhao, Xianghu; Cao, Song
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4284 - 4287
• a: 6.027 ± 0.003 Å
• b: 8.625 ± 0.005 Å
• c: 20.271 ± 0.012 Å
• α: 80.818 ± 0.012°
• β: 84.718 ± 0.013°
• γ: 80.883 ± 0.013°
• Cell volume: 1024.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No