Information card for entry 7030428

Structure parameters

• Formula: C27 H11 F28 O2 P
• Calculated formula: C27 H11 F28 O2 P
• SMILES: c12ccccc1C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)OP12(c2ccccc2C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)O1)C
• 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: 9.462 ± 0.0002 Å
• b: 10.579 ± 0.0002 Å
• c: 15.937 ± 0.0003 Å
• α: 83.813 ± 0.001°
• β: 89.44 ± 0.001°
• γ: 84.867 ± 0.001°
• Cell volume: 1579.62 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No