Information card for entry 7131327

Structure parameters

• Formula: C34 H26 F3 O4 P S
• Calculated formula: C34 H26 F3 O4 P S
• SMILES: [P+](c1ccccc1)(c1c2c(oc1Cc1ccccc1)cccc2)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Brønsted acid-mediated tandem cyclization of triarylphosphines and <i>in situ</i> generated <i>ortho</i>-alkynyl quinone methides: access to heterocyclic quaternary phosphonium salts.
• Authors of publication: Fan, Ya-Xin; Huang, Hong-Li; Su, Qing-Qiang; Lv, Yong-Zheng; Li, Shan; Ma, Yan-Hua; Mao, Yan-Xin; Ma, Chun-Lin; Du, Ji-Yuan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 23
• Pages of publication: 3463 - 3466
• a: 9.7924 ± 0.0008 Å
• b: 10.8723 ± 0.0009 Å
• c: 16.3126 ± 0.0014 Å
• α: 98.275 ± 0.002°
• β: 97.02 ± 0.002°
• γ: 116.223 ± 0.004°
• Cell volume: 1507.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No