Information card for entry 4514901

Structure parameters

• Formula: C28 H27 O2 P
• Calculated formula: C28 H27 O2 P
• SMILES: P(=O)(c1ccc(cc1)C)(c1ccc(cc1)C)c1c(c2c(C)cccc2O)c(ccc1)C
• 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: 9.27489 ± 0.00012 Å
• b: 7.39505 ± 0.0001 Å
• c: 16.7947 ± 0.0002 Å
• α: 90°
• β: 94.7237 ± 0.0012°
• γ: 90°
• Cell volume: 1148.01 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No