Information card for entry 7152843

Structure parameters

• Formula: C22 H24 O6
• Calculated formula: C22 H24 O6
• SMILES: O(c1c2cc(c(c(c2cc(OC)c1O)c1cc(OC)c(O)c(OC)c1)C)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: 12.3947 ± 0.0007 Å
• b: 8.5143 ± 0.0004 Å
• c: 21.6771 ± 0.001 Å
• α: 90°
• β: 104.571 ± 0.006°
• γ: 90°
• Cell volume: 2214.1 ± 0.2 ų
• Cell temperature: 294.5 ± 0.14 K
• Ambient diffraction temperature: 294.5 ± 0.14 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1775
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.2672
• Weighted residual factors for all reflections included in the refinement: 0.3319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No