Information card for entry 4317799

Structure parameters

• Formula: C22 H21 F3 N O2 P S
• Calculated formula: C22 H21 F3 N O2 P S
• SMILES: S(=O)(=O)(N=P(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)C(F)(F)F
• Title of publication: Synthesis and Structural Comparison of Triaryl(sulfonylimino)pnictoranes
• Authors of publication: Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1940 - 1948
• a: 10.419 ± 0.002 Å
• b: 21.244 ± 0.002 Å
• c: 10.697 ± 0.002 Å
• α: 90°
• β: 112.56 ± 0.01°
• γ: 90°
• Cell volume: 2186.5 ± 0.6 ų
• Cell temperature: 296.7 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 significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No