Information card for entry 7158759

Structure parameters

• Formula: C37 H35 N O2 P
• Calculated formula: C37 H35 N O2 P
• Title of publication: Manganese(III)-promoted highly stereoselective phosphorylation of acyclic tertiary enamides to synthesize <i>E</i>-selective β-phosphoryl enamides.
• Authors of publication: Xu, Xin-Ming; Li, Wenzhong; Li, Qiwei; Chen, Sen; Zhang, Xuesi; Yang, Bin; Wang, Wei-Li
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 28
• Pages of publication: 5566 - 5574
• a: 9.2756 ± 0.0001 Å
• b: 10.2061 ± 0.0001 Å
• c: 17.1546 ± 0.0002 Å
• α: 79.024 ± 0.001°
• β: 75.112 ± 0.001°
• γ: 74.328 ± 0.001°
• Cell volume: 1498.29 ± 0.03 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No