Information card for entry 1545128

Structure parameters

• Formula: C21 H20 O5
• Calculated formula: C21 H20 O5
• SMILES: O1c2c(c(O)cc(O)c2)C(=O)C(=C1)c1cc(c(OC)cc1)CC=C(C)C
• Title of publication: Flavonoids from Erythrina schliebenii.
• Authors of publication: Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 2
• Pages of publication: 377 - 383
• a: 8.5769 ± 0.0003 Å
• b: 9.1101 ± 0.0003 Å
• c: 11.523 ± 0.0004 Å
• α: 78.724 ± 0.002°
• β: 76.207 ± 0.002°
• γ: 81.728 ± 0.002°
• Cell volume: 853.04 ± 0.05 ų
• Cell temperature: 173.15 ± 0.1 K
• Ambient diffraction temperature: 173.15 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No