Information card for entry 7121249

Structure parameters

• Formula: C14 H16 O4
• Calculated formula: C14 H16 O4
• SMILES: c12c(C[C@@H]3[C@@H](C2)[C@@H](OC3)OC)cc2OCOc2c1.c12c(C[C@H]3[C@H](C2)[C@H](OC3)OC)cc2OCOc2c1
• Title of publication: Stereoselective synthesis of a Podophyllum lignan core by intramolecular reductive nickel-catalysis.
• Authors of publication: Xiao, Jian; Cong, Xiao-Wei; Yang, Gui-Zhen; Wang, Ya-Wen; Peng, Yu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 2040 - 2043
• a: 5.0801 ± 0.0007 Å
• b: 17.337 ± 0.003 Å
• c: 13.987 ± 0.002 Å
• α: 90°
• β: 95.513 ± 0.014°
• γ: 90°
• Cell volume: 1226.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.082
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No