Information card for entry 7127084

Structure parameters

• Chemical name: lwp
• Formula: C18 H16 N2 O7
• Calculated formula: C18 H16 N2 O7
• Title of publication: Synthesis of chiral pyrimidine-substituted diester D-A cyclopropanes <i>via</i> asymmetric cyclopropanation of phenyliodonium ylides.
• Authors of publication: Wang, Hai-Xia; Li, Wen-Peng; Zhang, Mi-Mi; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 78
• Pages of publication: 11649 - 11652
• a: 7.4818 ± 0.0001 Å
• b: 10.0714 ± 0.0002 Å
• c: 23.347 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1759.25 ± 0.05 ų
• Cell temperature: 292.7 ± 0.2 K
• Ambient diffraction temperature: 292.7 ± 0.2 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: 0.0416
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No