Information card for entry 7156740

Structure parameters

• Formula: C20 H24 O7
• Calculated formula: C20 H24 O7
• Title of publication: A divergent strategy to synthesize gabosines featuring a switchable two-way aldol cyclization.
• Authors of publication: Yang, Xing; Yuan, Po; Shui, Feng; Zhou, Yuqin; Chen, Xiaochuan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 4061 - 4072
• a: 8.84318 ± 0.00016 Å
• b: 8.84318 ± 0.00016 Å
• c: 47.459 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3711.38 ± 0.13 ų
• Cell temperature: 297.71 ± 0.1 K
• Ambient diffraction temperature: 297.71 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1895
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No