Information card for entry 4133586

Structure parameters

• Formula: C35 H31 N O8
• Calculated formula: C35 H31 N O8
• Title of publication: Chemical Synthesis Enables Structural Reengineering of Aglaroxin C Leading to Inhibition Bias for Hepatitis C Viral Infection.
• Authors of publication: Zhang, Wenhan; Liu, Shufeng; Maiga, Rayelle I.; Pelletier, Jerry; Brown, Lauren E.; Wang, Tony T.; Porco, Jr, John A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 3
• Pages of publication: 1312 - 1323
• a: 26.6128 ± 0.0017 Å
• b: 10.402 ± 0.0007 Å
• c: 21.364 ± 0.0014 Å
• α: 90°
• β: 94.776 ± 0.004°
• γ: 90°
• Cell volume: 5893.6 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No