Information card for entry 1545127

Structure parameters

• Formula: C19 H20 O6
• Calculated formula: C19 H20 O6
• SMILES: O(c1c(c(O)cc(OC)c1OC)C(=O)/C=C/c1ccc(OC)cc1)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: 13.1824 ± 0.0002 Å
• b: 15.15072 ± 0.00019 Å
• c: 8.32489 ± 0.00011 Å
• α: 90°
• β: 98.5002 ± 0.0013°
• γ: 90°
• Cell volume: 1644.41 ± 0.04 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No