Information card for entry 7153032

Structure parameters

• Formula: C15 H18 N O5 P
• Calculated formula: C15 H18 N O5 P
• Title of publication: Combined C-H functionalization/O-H insertion reaction to form tertiary β-alkoxy substituted β-aminophosphonates catalyzed by [Cu(MeCN)4]PF6.
• Authors of publication: Cai, Yan; Lu, Yuchen; Yu, Chengbin; Lyu, Hairong; Miao, Zhiwei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 33
• Pages of publication: 5491 - 5499
• a: 14.554 ± 0.003 Å
• b: 12.849 ± 0.003 Å
• c: 8.6466 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1617 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No