Information card for entry 1545129

Structure parameters

• Formula: C26 H30 O5
• Calculated formula: C26 H30 O5
• SMILES: c1(cc(c2c(c1)O[C@@H](CC2=O)c1cc(c(c(c1)CC=C(C)C)OC)CC=C(C)C)O)O
• 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: 5.18734 ± 0.00007 Å
• b: 20.1639 ± 0.0002 Å
• c: 21.6358 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2263.04 ± 0.04 ų
• Cell temperature: 123.01 ± 0.02 K
• Ambient diffraction temperature: 123.01 ± 0.02 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No