Information card for entry 7246766

Structure parameters

• Formula: C27 H38 Cl O2 P
• Calculated formula: C27 H38 Cl O2 P
• SMILES: [P@@](=O)(O[C@H]1[C@H](C(C)C)CC[C@H](C1)C)([C@@H](CC(C)C)c1ccc(Cl)cc1)c1ccccc1
• Title of publication: Tandem addition of nucleophilic and electrophilic reagents to vinyl phosphinates: the stereoselective formation of organophosphorus compounds with congested tertiary carbons
• Authors of publication: Lin, Zhu; Zhai, De-Hua; Sun, Yong-Ming; Zheng, Hong-Xing; Li, Qiang; Wang, Yan-Lan; Wen, Jing-Hong; Zhao, Chang-Qiu
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 14060 - 14064
• a: 12.7102 ± 0.0011 Å
• b: 5.9519 ± 0.0005 Å
• c: 18.9788 ± 0.0018 Å
• α: 90°
• β: 99.214 ± 0.002°
• γ: 90°
• Cell volume: 1417.2 ± 0.2 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1743
• Residual factor for significantly intense reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.2925
• Weighted residual factors for all reflections included in the refinement: 0.3311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No