Information card for entry 4519162

Structure parameters

• Formula: C25 H21 O3 P
• Calculated formula: C25 H21 O3 P
• Title of publication: Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition
• Authors of publication: Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 14168 - 14180
• a: 10.772 ± 0.0004 Å
• b: 13.7803 ± 0.0006 Å
• c: 13.8713 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2059.08 ± 0.15 ų
• Cell temperature: 292.08 ± 0.18 K
• Ambient diffraction temperature: 292.08 ± 0.18 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No