Information card for entry 1545126

Structure parameters

• Formula: C19 H18 O6
• Calculated formula: C19 H18 O6
• SMILES: O1c2c(c(OC)c(OC)c(OC)c2)C(=O)C=C1c1ccc(OC)cc1
• 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: 11.8767 ± 0.0003 Å
• b: 9.3428 ± 0.0003 Å
• c: 16.2435 ± 0.0005 Å
• α: 90°
• β: 113.85 ± 0.002°
• γ: 90°
• Cell volume: 1648.49 ± 0.09 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.0655
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No