Information card for entry 4128303

Structure parameters

• Formula: C22 H27 N2 O8.5
• Calculated formula: C22 H27 N2 O8.5
• Title of publication: Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp³)-H Activation.
• Authors of publication: Thesmar, Pierre; Baudoin, Olivier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 40
• Pages of publication: 15779 - 15783
• a: 9.883 ± 0.0004 Å
• b: 9.883 ± 0.0004 Å
• c: 36.809 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3113.6 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9809
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No