Information card for entry 7004128

Structure parameters

• Formula: C28 H13 F20 O2 P
• Calculated formula: C28 H13 F20 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)c1ccccc1
• 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: 9.637 ± 0.0002 Å
• b: 37.407 ± 0.0013 Å
• c: 16.135 ± 0.0008 Å
• α: 90°
• β: 96.692 ± 0.001°
• γ: 90°
• Cell volume: 5776.9 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2364
• Weighted residual factors for all reflections included in the refinement: 0.2914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No