Information card for entry 1552644

Structure parameters

• Formula: C22 H22 O7
• Calculated formula: C22 H22 O7
• SMILES: O(c1c2c(cc3OCOc13)C[C@H]1[C@H]([C@@H]2c2cc3OCOc3c(OC)c2)COC1)C
• Title of publication: Propolis Components from Stingless Bees Collected on South Sulawesi, Indonesia, and Their Xanthine Oxidase Inhibitory Activity.
• Authors of publication: Miyata, Ryo; Sahlan, Muhamad; Ishikawa, Yoshinobu; Hashimoto, Hiroshi; Honda, Sari; Kumazawa, Shigenori
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 2
• Pages of publication: 205 - 210
• a: 11.0157 ± 0.0001 Å
• b: 6.7595 ± 0.0001 Å
• c: 13.0366 ± 0.0001 Å
• α: 90°
• β: 106.373 ± 0.001°
• γ: 90°
• Cell volume: 931.348 ± 0.018 ų
• Cell temperature: 100.2 ± 0.5 K
• Ambient diffraction temperature: 100.2 ± 0.5 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: 0.0332
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No