Information card for entry 7152842

Structure parameters

• Formula: C18 H18 O2
• Calculated formula: C18 H18 O2
• SMILES: C1(=O)[C@@H]([C@H](C(c2ccccc2)(c2ccccc2)O1)C)C.C1(=O)[C@H]([C@@H](C(c2ccccc2)(c2ccccc2)O1)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: 8.517 ± 0.006 Å
• b: 10.598 ± 0.007 Å
• c: 16.662 ± 0.011 Å
• α: 90°
• β: 94.57 ± 0.007°
• γ: 90°
• Cell volume: 1499.2 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No