Information card for entry 7002426

Structure parameters

• Formula: C34 H28 F6 O6 P2 S2
• Calculated formula: C34 H28 F6 O6 P2 S2
• SMILES: C1C[P+](c2c(cccc2)[P+]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: Vicinal diphosphoniums: electrostatic repulsion under covalent constraint
• Authors of publication: Abdalilah, Mohammed; Zurawinski, Remigiuz; Canac, Yves; Laleu, Benoît; Lacour, Jérôme; Lepetit, Christine; Magro, Germinal; Bernardinelli, Gérald; Donnadieu, Bruno; Duhayon, Carine; Mikolajczyk, Marian; Chauvin, Remi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8493 - 8508
• a: 9.5353 ± 0.0009 Å
• b: 19.619 ± 0.0013 Å
• c: 19.8829 ± 0.0018 Å
• α: 90°
• β: 99.024 ± 0.011°
• γ: 90°
• Cell volume: 3673.5 ± 0.6 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• 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: 0.1119
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No