Information card for entry 1558856

Structure parameters

• Formula: C42 H44 O7
• Calculated formula: C42 H44 O7
• SMILES: O1[C@@H](C[C@H](c2c(OC)cc(OC)c(c12)CC=C(C)C)c1c(O)c2C(=O)C[C@H](Oc2c(c1O)CC=C(C)C)c1ccccc1)c1ccccc1
• Title of publication: Prenylated Flavonoids from the Roots of <i>Tephrosia rhodesica</i>.
• Authors of publication: Atilaw, Yoseph; Muiva-Mutisya, Lois; Bogaerts, Jonathan; Duffy, Sandra; Valkonen, Arto; Heydenreich, Matthias; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté; Yenesew, Abiy
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 8
• Pages of publication: 2390 - 2398
• a: 12.9977 ± 0.0003 Å
• b: 9.61 ± 0.0002 Å
• c: 15.9499 ± 0.0004 Å
• α: 90°
• β: 111.677 ± 0.003°
• γ: 90°
• Cell volume: 1851.38 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No