Information card for entry 7121248

Structure parameters

• Formula: C20 H20 O4
• Calculated formula: C20 H20 O4
• SMILES: O1[C@@H](OC)[C@@H]2Cc3cc4OCOc4cc3[C@@H]([C@H]2C1)c1ccccc1.O1[C@H](OC)[C@H]2Cc3cc4OCOc4cc3[C@H]([C@@H]2C1)c1ccccc1
• 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: 6.4202 ± 0.0014 Å
• b: 8.678 ± 0.002 Å
• c: 15.259 ± 0.004 Å
• α: 77.58 ± 0.02°
• β: 82.191 ± 0.019°
• γ: 85.69 ± 0.02°
• Cell volume: 821.6 ± 0.3 ų
• Cell temperature: 294.06 ± 0.1 K
• Ambient diffraction temperature: 294.06 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No