Information card for entry 1555846

Structure parameters

• Formula: C22 H22 O7
• Calculated formula: C22 H22 O7
• SMILES: O1c2cc3C[C@H]4[C@@H](OC(=O)C4)[C@@H](c3cc2OC1)c1cc(OC)c(OC)c(OC)c1.O1c2cc3C[C@@H]4[C@H](OC(=O)C4)[C@H](c3cc2OC1)c1cc(OC)c(OC)c(OC)c1
• Title of publication: Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.
• Authors of publication: Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 5170 - 5173
• a: 15.8269 ± 0.0002 Å
• b: 5.82087 ± 0.00013 Å
• c: 20.8138 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1917.5 ± 0.06 ų
• Cell temperature: 297.9 ± 0.5 K
• Ambient diffraction temperature: 297.9 ± 0.5 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: 0.0519
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54183 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No