Information card for entry 2217866

Structure parameters

• Chemical name: (2-Thienylcarbonyl)(triphenylphosphonio)methanide
• Formula: C24 H19 O P S
• Calculated formula: C24 H19 O P S
• SMILES: c1ccc(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)s1
• Title of publication: 2-Thienylcarbonylmethylene‒triphenylphosphorane ylide
• Authors of publication: Sabounchei, Seyyed Javad; Jodaian, Vida; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o647
• a: 11.3076 ± 0.0017 Å
• b: 15.474 ± 0.002 Å
• c: 11.354 ± 0.0016 Å
• α: 90°
• β: 97.063 ± 0.012°
• γ: 90°
• Cell volume: 1971.6 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes