Information card for entry 7118369

Structure parameters

• Chemical name: Ethyl 2-((2S*,3'R*,4'S*)-2',4-dioxo-[2,3'-bichroman]-4'-yl)acetate
• Formula: C22 H20 O6
• Calculated formula: C22 H20 O6
• SMILES: C1(=O)[C@H]([C@@H](c2ccccc2O1)CC(=O)OCC)[C@@H]1CC(=O)c2ccccc2O1.C1(=O)[C@@H]([C@H](c2ccccc2O1)CC(=O)OCC)[C@H]1CC(=O)c2ccccc2O1
• Title of publication: Sequential Mukaiyama-Michael reaction induced by carbon acids.
• Authors of publication: Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 16
• Pages of publication: 3280 - 3283
• a: 34.732 ± 0.004 Å
• b: 13.1317 ± 0.0014 Å
• c: 8.2791 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3776 ± 0.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No