Information card for entry 7156915

Structure parameters

• Formula: C31 H24 F3 O4 P S
• Calculated formula: C31 H24 F3 O4 P S
• Title of publication: Aryne insertion into the P[double bond, length as m-dash]O bond: one-pot synthesis of quaternary phosphonium triflates.
• Authors of publication: Neog, Kashmiri; Dutta, Dhiraj; Das, Babulal; Gogoi, Pranjal
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 26
• Pages of publication: 6450 - 6460
• a: 9.5734 ± 0.0004 Å
• b: 15.0468 ± 0.0007 Å
• c: 19.4977 ± 0.0009 Å
• α: 90°
• β: 92.992 ± 0.003°
• γ: 90°
• Cell volume: 2804.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.11
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No