Information card for entry 4038637

Structure parameters

• Formula: C30 H26 O4
• Calculated formula: C30 H26 O4
• Title of publication: Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application.
• Authors of publication: Hosseini, Seyyedamirhossein; Thapa, Bishnu; Medeiros, Maria Jose; Pasciak, Erick M.; Pence, Michael A.; Twum, Eric B.; Karty, Jonathan A.; Gao, Xinfeng; Mubarak, Mohammad S.; Raghavachari, Krishnan; Peters, Dennis G.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.7533 ± 0.001 Å
• b: 7.0684 ± 0.0006 Å
• c: 28.577 ± 0.002 Å
• α: 90°
• β: 98.767 ± 0.003°
• γ: 90°
• Cell volume: 2346.4 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0518
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No