Information card for entry 4514902

Structure parameters

• Formula: C24 H27 O2 P
• Calculated formula: C24 H27 O2 P
• SMILES: [P@@](=O)(c1ccccc1)(c1c(c2c(cccc2O)C)c(ccc1)C)CCCC
• Title of publication: Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums
• Authors of publication: Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 9852
• a: 7.18064 ± 0.0001 Å
• b: 15.0632 ± 0.0002 Å
• c: 19.4179 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2100.31 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0418
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No