Information card for entry 4107836

Structure parameters

• Common name: parc0105a
• Formula: C24 H19 N O9
• Calculated formula: C24 H19 N O9
• SMILES: o1n2Cc3cc4OC5([C@H](O)CCC(=C5C(=O)c4c(O)c3c3c2c(c1=O)ccc3)OC)C(=O)OC
• Title of publication: Isolation and Structure Elucidation of Parnafungins, Antifungal Natural Products that Inhibit mRNA Polyadenylation
• Authors of publication: Craig A. Parish; Scott K. Smith; Kathleen Calati; Deborah Zink; Kenneth Wilson; Terry Roemer; Bo Jiang; Deming Xu; Gerald Bills; Gonzalo Platas; Fernando Peláez; Maria Teresa Díez; Nancy Tsou; Arlene E. McKeown; Richard G. Ball; Mary Ann Powles; Lai Yeung; Paul Liberator; Guy Harris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7060 - 7066
• a: 5.9784 ± 0.0009 Å
• b: 22.907 ± 0.003 Å
• c: 14.639 ± 0.002 Å
• α: 90°
• β: 97.816 ± 0.002°
• γ: 90°
• Cell volume: 1986.1 ± 0.5 ų
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No