Information card for entry 7004132

Structure parameters

• Formula: C32 H20.5 F20 N0.5 O2 P
• Calculated formula: C32 H20.5 F20 N0.5 O2 P
• SMILES: c12ccccc1C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)OP12(c2ccccc2C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)O1)c1c(cc(cc1C)C)C.CC#N
• Title of publication: Synthesis, structure and isomerization of arylphosphoranes with anti-apicophilic bonding modes using a novel bidentate ligand with two C2F5 groups
• Authors of publication: Jiang, Xin-Dong; Matsukawa, Shiro; Yamamoto, Yohsuke
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 28
• Pages of publication: 3678 - 3687
• a: 11.113 ± 0.0001 Å
• b: 15.585 ± 0.0003 Å
• c: 19.152 ± 0.0004 Å
• α: 97.578 ± 0.001°
• β: 97.153 ± 0.001°
• γ: 95.411 ± 0.001°
• Cell volume: 3241.75 ± 0.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No