Information card for entry 1559496

Structure parameters

• Formula: C21 H20 O4
• Calculated formula: C21 H20 O4
• SMILES: c1c(cc2c(c1)C(=O)C(=CO2)c1ccc(c(c1)CC=C(C)C)OC)O
• Title of publication: Total Syntheses of Prenylated Isoflavones from <i>Erythrina sacleuxii</i> and Their Antibacterial Activity: 5-Deoxy-3'-prenylbiochanin A and Erysubin F.
• Authors of publication: Kwesiga, George; Kelling, Alexandra; Kersting, Sebastian; Sperlich, Eric; von Nickisch-Rosenegk, Markus; Schmidt, Bernd
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 11
• Pages of publication: 3445 - 3453
• a: 14.8274 ± 0.0004 Å
• b: 8.1697 ± 0.0001 Å
• c: 15.5656 ± 0.0004 Å
• α: 90°
• β: 114.139 ± 0.002°
• γ: 90°
• Cell volume: 1720.67 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No