Information card for entry 7160754

Structure parameters

• Formula: C33 H25 O2 P
• Calculated formula: C33 H25 O2 P
• Title of publication: One-pot (2 + 4) cycloaddition of propargyl alcohols with <i>o</i>-hydroxyphenyl substituted secondary phosphine oxides.
• Authors of publication: Zhang, Sen; Zhang, Guo-Ke; Tian, Yi-Ming; Bai, Wen-Xin; Liu, Tian-Ya; Zhang, Yu-Chen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 40
• Pages of publication: 9178 - 9184
• a: 10.3252 ± 0.0002 Å
• b: 14.4115 ± 0.0003 Å
• c: 17.254 ± 0.0003 Å
• α: 90°
• β: 101.614 ± 0.001°
• γ: 90°
• Cell volume: 2514.86 ± 0.08 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.046
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No