Information card for entry 1552470

Structure parameters

• Formula: C33 H54 F6 N O6 P3 S2
• Calculated formula: C33 H54 F6 N O6 P3 S2
• SMILES: [P+](P([P+](C1CCCCC1)(C1CCCCC1)C)c1ncccc1)(C1CCCCC1)(C1CCCCC1)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Controlled scrambling reactions to polyphosphanes via bond metathesis reactions
• Authors of publication: Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 13.8365 ± 0.0001 Å
• b: 21.99929 ± 0.00012 Å
• c: 13.99782 ± 0.0001 Å
• α: 90°
• β: 109.465 ± 0.0008°
• γ: 90°
• Cell volume: 4017.32 ± 0.05 ų
• Cell temperature: 99.97 ± 0.12 K
• Ambient diffraction temperature: 99.97 ± 0.12 K
• Number of distinct elements: 7
• 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: 0.0322
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No