Information card for entry 4035320

Structure parameters

• Formula: C20 H18 F4
• Calculated formula: C20 H18 F4
• SMILES: Fc1c(C(C=C)CCCC=C)c(F)c(F)c(c1F)c1ccccc1
• Title of publication: Ni-Catalyzed Dimerization and Hydroperfluoroarylation of 1,3-Dienes.
• Authors of publication: Iwasaki, Takanori; Min, Xin; Fukuoka, Asuka; Zhu, Longzhi; Qiu, Renhua; Yang, Tao; Ehara, Masahiro; Sudalai, Arumugam; Kambe, Nobuaki
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 16
• Pages of publication: 9267 - 9277
• a: 13.0228 ± 0.0004 Å
• b: 5.7 ± 0.0002 Å
• c: 22.0772 ± 0.0008 Å
• α: 90°
• β: 95.706 ± 0.0019°
• γ: 90°
• Cell volume: 1630.67 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.2756
• Weighted residual factors for all reflections included in the refinement: 0.321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No