Information card for entry 1505806

Structure parameters

• Formula: C22 H20 O6
• Calculated formula: C22 H20 O6
• SMILES: O[C@H]([C@H]1OC(=O)C=C[C@H]1O)[C@@H](OC(=O)/C=C/c1ccccc1)c1ccccc1
• Title of publication: Cytotoxic styryl-lactones from the leaves and twigs of Polyalthia crassa.
• Authors of publication: Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Thinapong, Pongchan; Sophasan, Samaisukh; Santisuk, Thawatchai; Reutrakul, Vichai
• Journal of publication: Journal of natural products
• Year of publication: 2006
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1728 - 1733
• a: 6.0723 ± 0.0004 Å
• b: 12.0285 ± 0.0006 Å
• c: 25.741 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1880.1 ± 0.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No