Information card for entry 7239216

Structure parameters

• Formula: C20 H23 F6 N4 O6 P S2
• Calculated formula: C20 H23 F6 N4 O6 P S2
• Title of publication: P-oxidation of gem-dicationic phosphines
• Authors of publication: Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 43
• Pages of publication: 20391
• a: 15.7038 ± 0.0003 Å
• b: 25.3224 ± 0.0003 Å
• c: 13.7018 ± 0.0002 Å
• α: 90°
• β: 107.623 ± 0.0018°
• γ: 90°
• Cell volume: 5192.93 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections included in the refinement: 0.0337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1819
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No