Information card for entry 7004130

Structure parameters

• Formula: C28 H12 F21 O2 P
• Calculated formula: C28 H12 F21 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)c1ccc(cc1)F
• 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: 8.948 ± 0.0001 Å
• b: 16.975 ± 0.0003 Å
• c: 19.687 ± 0.0004 Å
• α: 88.113 ± 0.001°
• β: 82.165 ± 0.001°
• γ: 81.302 ± 0.001°
• Cell volume: 2928.09 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0477
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No