Information card for entry 1505805

Structure parameters

• Formula: C13 H12 O4
• Calculated formula: C13 H12 O4
• SMILES: O1[C@]2(O[C@H](c3ccccc3)[C@@H](O)C2)C=CC1=O
• 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: 9.7649 ± 0.0009 Å
• b: 4.8852 ± 0.0003 Å
• c: 11.8369 ± 0.0011 Å
• α: 90°
• β: 99.31 ± 0.003°
• γ: 90°
• Cell volume: 557.22 ± 0.08 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No