Information card for entry 7152844

Structure parameters

• Formula: C22 H28 O7
• Calculated formula: C22 H28 O7
• SMILES: c1(cc(c(c(c1)OC)O)OC)C1(c2cc(c(c(c2)OC)O)OC)[C@@H]([C@H](CO1)C)C.c1(cc(c(c(c1)OC)O)OC)C1(c2cc(c(c(c2)OC)O)OC)[C@H]([C@@H](CO1)C)C
• Title of publication: Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.
• Authors of publication: Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 2498 - 2513
• a: 12.701 ± 0.009 Å
• b: 13.483 ± 0.01 Å
• c: 24.743 ± 0.018 Å
• α: 90°
• β: 95.229 ± 0.006°
• γ: 90°
• Cell volume: 4220 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No