Information card for entry 1565515

Structure parameters

• Formula: C20 H14 O4
• Calculated formula: C20 H14 O4
• SMILES: c12c(cc3C=CC(=O)c4ccc(c5ccccc5O2)c1c34)OC.O
• Title of publication: Phytochemical Profiling and Biological Testing of the Constituents of the Australian Plant <i>Haemodorum brevisepalum</i>.
• Authors of publication: Norman, Edward Owen; Hombsch, Stuart; Lever, James; Brkljača, Robert; White, Jonathan; Gasser, Robin B.; Taki, Aya C.; Urban, Sylvia
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 11
• Pages of publication: 2832 - 2844
• a: 4.799 ± 0.001 Å
• b: 17.338 ± 0.004 Å
• c: 17.021 ± 0.003 Å
• α: 90°
• β: 90.85 ± 0.03°
• γ: 90°
• Cell volume: 1416.1 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.9184 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No