Information card for entry 1560705

Structure parameters

• Formula: C11 H8 O5
• Calculated formula: C11 H8 O5
• SMILES: c12C(=O)C(=C(C(=O)c1c(ccc2O)O)C)O
• Title of publication: Phytochemical Profiling and Biological Activity of the Australian Carnivorous Plant, <i>Drosera magna</i>.
• Authors of publication: Norman, Edward Owen; Tuohey, Hayden; Pizzi, David; Saidah, Milane; Bell, Rachael; Brkljača, Robert; White, Jonathan M.; Gasser, Robin B.; Taki, Aya C.; Urban, Sylvia
• Journal of publication: Journal of natural products
• Year of publication: 2021
• a: 4.9167 ± 0.0002 Å
• b: 16.6655 ± 0.0007 Å
• c: 11.2024 ± 0.0004 Å
• α: 90°
• β: 98.726 ± 0.004°
• γ: 90°
• Cell volume: 907.29 ± 0.06 ų
• Cell temperature: 130.01 ± 0.1 K
• Ambient diffraction temperature: 130.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No