Information card for entry 7133036

Structure parameters

• Formula: C21 H34 O4
• Calculated formula: C21 H34 O4
• Title of publication: 9-Step Synthesis of (−)-Larikaempferic Acid Methyl Ester Enabled by Skeletal Rearrangement
• Authors of publication: Rivera, Mario E.; Li, Lei; Kolisetti, Aditya; Chi, Nina; Dai, Mingji
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 20.0209 ± 0.0002 Å
• b: 6.9482 ± 0.0001 Å
• c: 29.3036 ± 0.0002 Å
• α: 90°
• β: 107.026 ± 0.001°
• γ: 90°
• Cell volume: 3897.74 ± 0.08 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0913
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No