Information card for entry 7124371

Structure parameters

• Formula: C28 H28 N2 O9
• Calculated formula: C28 H28 N2 O9
• Title of publication: Stereocontrolled construction of six vicinal stereogenic centers on hexahydroxanthone framework through a formal [2+1+3] annulation
• Authors of publication: Chang, Shun-qin; Zuo, Xiong; Gong, Ying; He, Xue-Wen; Liu, Xiong-Li; Zhou, Ying
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.4615 ± 0.0001 Å
• b: 10.5145 ± 0.0001 Å
• c: 23.7246 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2609.65 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0469
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No