Information card for entry 7156031

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(cc2)Cl)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: 6.164 ± 0.0003 Å
• b: 8.847 ± 0.0004 Å
• c: 12.0067 ± 0.0005 Å
• α: 106.131 ± 0.001°
• β: 92.963 ± 0.001°
• γ: 101.467 ± 0.001°
• Cell volume: 612.44 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No