Information card for entry 7220889

Structure parameters

• Formula: C20 H24 O2 S2
• Calculated formula: C20 H24 O2 S2
• SMILES: c1ccc(C(=O)[C@@H]([C@@H](CC(=O)c2cccs2)C(C)C)C=C(C)C)s1.c1ccc(C(=O)[C@H]([C@H](CC(=O)c2cccs2)C(C)C)C=C(C)C)s1
• Title of publication: A Green Synthesis of Highly Substituted 1,5-Diketones
• Authors of publication: li, chunbao; Liu, Lei; Feng, Suliu
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.868 ± 0.004 Å
• b: 11.468 ± 0.004 Å
• c: 15.889 ± 0.006 Å
• α: 90°
• β: 103.051 ± 0.003°
• γ: 90°
• Cell volume: 1929.2 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No