Information card for entry 7160494

Structure parameters

• Formula: C35 H27 O2 P
• Calculated formula: C35 H27 O2 P
• Title of publication: Base-promoted regio- and diastereoselective synthesis of tri- and tetra-substituted homoallenyl phosphine oxides <i>via</i> alkynyl enones.
• Authors of publication: Zhou, Shaochan; Zou, Haotian; Huang, Xianqiang; Qi, Jialin; Xu, Zhenghu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 19
• Pages of publication: 4718 - 4724
• a: 12.821 ± 0.0014 Å
• b: 8.9 ± 0.0009 Å
• c: 23.705 ± 0.002 Å
• α: 90°
• β: 98.505 ± 0.01°
• γ: 90°
• Cell volume: 2675.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1432
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No