Information card for entry 7161133

Structure parameters

• Formula: C22 H30 O5.5 P
• Calculated formula: C20 H25 O5 P
• Title of publication: Chemo-, regio- and stereoselective synthesis of (<i>E</i>)-γ,γ-diarylvinylphosphonates from α-hydroxyallylphosphonates in TFA.
• Authors of publication: Kaboudin, Babak; Yadghybi, Abolfazl; Yanai, Hikaru; Fukaya, Haruhiko; Zhang, Tianjian; Gu, Yanlong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 19
• Pages of publication: 4104 - 4114
• a: 7.7262 ± 0.0001 Å
• b: 21.5894 ± 0.0002 Å
• c: 13.0373 ± 0.0001 Å
• α: 90°
• β: 97.386 ± 0.001°
• γ: 90°
• Cell volume: 2156.63 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No