Information card for entry 7030429

Structure parameters

• Formula: C27 H11 F28 O2 P
• Calculated formula: C27 H8 F28 O2 P
• SMILES: c12c(cccc1)C(C(C(F)(F)C(F)(F)F)(F)F)(OP12(c2ccccc2C(C(C(F)(F)C(F)(F)F)(F)F)(O1)C(F)(F)C(C(F)(F)F)(F)F)C)C(F)(C(F)(C(F)(F)F)F)F
• Title of publication: Efficient synthesis of tetradecafluoro-4-phenylheptan-4-ol by a Cannizzaro-type reaction and application of the alcohol as a bulky Martin ligand variant for a new anti-apicophilic phosphorane.
• Authors of publication: Jiang, Xin-Dong; Matsukawa, Shiro; Kakuda, Ken-Ichiro; Fukuzaki, Yuta; Zhao, Wei-Li; Li, Lin-Song; Shen, Huai-Bin; Kojima, Satoshi; Yamamoto, Yohsuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 41
• Pages of publication: 9823 - 9829
• a: 23.791 ± 0.0004 Å
• b: 11.548 ± 0.0002 Å
• c: 11.909 ± 0.0002 Å
• α: 90°
• β: 99.8 ± 0.001°
• γ: 90°
• Cell volume: 3224.12 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No