Information card for entry 1502791

Structure parameters

• Formula: C17 H18 O6
• Calculated formula: C17 H18 O6
• SMILES: O1[C@@H](CC(=O)C2=C1C[C@H](O)[C@@H]1OC(=O)C[C@H]21)c1ccccc1.O
• Title of publication: Cytotoxic flavonoids from the leaves of Cryptocarya chinensis.
• Authors of publication: Chou, Tsung-Hsien; Chen, Jih-Jung; Lee, Shiow-Ju; Chiang, Michael Y.; Yang, Cheng-Wei; Chen, Ih-Sheng
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 9
• Pages of publication: 1470 - 1475
• a: 8.032 ± 0.003 Å
• b: 8.278 ± 0.003 Å
• c: 11.532 ± 0.004 Å
• α: 90°
• β: 99.19 ± 0.03°
• γ: 90°
• Cell volume: 756.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0497
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No