Information card for entry 7156027

Structure parameters

• Formula: C30 H24 Cl2 O2
• Calculated formula: C30 H24 Cl2 O2
• SMILES: Clc1ccc(C[C@@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)Cc2ccc(Cl)cc2)cc1.Clc1ccc(C[C@H](C(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)Cc2ccc(Cl)cc2)cc1
• Title of publication: Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.
• Authors of publication: Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 750 - 755
• a: 15.2712 ± 0.0005 Å
• b: 11.6024 ± 0.0004 Å
• c: 14.692 ± 0.0005 Å
• α: 90°
• β: 107.143 ± 0.001°
• γ: 90°
• Cell volume: 2487.51 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No