Information card for entry 7158421

Structure parameters

• Formula: C20 H27 N2 O6 P
• Calculated formula: C20 H27 N2 O6 P
• Title of publication: Redox deracemization of phosphonate-substituted dihydropyrimidines.
• Authors of publication: Meng, Fan-Jie; Shao, Bing-Ru; Velopolcek, Maria K.; Guo, Xuan; Feng, Guang-Shou; Shi, Lei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 48
• Pages of publication: 10570 - 10574
• a: 9.4275 ± 0.0008 Å
• b: 10.8201 ± 0.0008 Å
• c: 27.124 ± 0.002 Å
• α: 92.649 ± 0.003°
• β: 93.232 ± 0.003°
• γ: 92.618 ± 0.003°
• Cell volume: 2756.2 ± 0.4 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No