Information card for entry 4030547

Structure parameters

• Formula: C19 H22 F2 O2
• Calculated formula: C19 H22 F2 O2
• SMILES: C1[C@](C([C@@H]2[C@H]3C(=C)CC[C@H]3C[C@H]12)(F)F)(c1ccc(cc1)OC)O
• Title of publication: Asymmetric Synthesis of gem-Difluoromethylenated Linear Triquinanes via Cascade gem-Difluoroalkyl Radical Cyclization.
• Authors of publication: Thaharn, Watcharaporn; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 2
• Pages of publication: 816 - 827
• a: 6.0115 ± 0.0004 Å
• b: 7.0059 ± 0.0004 Å
• c: 38.087 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1604.07 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No