Information card for entry 1554740

Structure parameters

• Formula: C43 H36 N4 O9
• Calculated formula: C43 H36 N4 O9
• SMILES: O1c2c(C(=O)[C@@H]3C[C@@]4(C(=O)N(C(=O)OC(C)(C)C)c5c4cccc5)[C@@]4(c5c(N(C4=O)Cc4ccccc4)cccc5)[C@H](c4onc(c4N(=O)=O)C)[C@@H]13)cccc2
• Title of publication: Bifunctional oxindole-chromone 4C building block directed asymmetric synthesis of bispirocyclic hexahydroxanthones featuring five contiguous stereocenters and two side-by-side oxindoles
• Authors of publication: Liu, Xiong-Li; Gong, Yi; Chen, Shuang; Zuo, Xiong; Yao, Zhen; Zhou, Ying
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 1603
• a: 17.41181 ± 0.00011 Å
• b: 27.6471 ± 0.00016 Å
• c: 17.61491 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8479.57 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No