Information card for entry 4028851

Structure parameters

• Common name: Phomoxanthone A
• Chemical name: Phomoxanthone A hemi(ethyl acetate) hemi-hydrate
• Formula: C38 H38 O16
• Calculated formula: C38 H38 O16
• Title of publication: Pro-Apoptotic and Immunostimulatory Tetrahydroxanthone Dimers from the Endophytic Fungus Phomopsis longicolla
• Authors of publication: David Rönsberg; Abdessamad Debbab; Attila Mándi; Vera Vasylyeva; Philip Böhler; Björn Stork; Laura Engelke; Alexandra Hamacher; Richard Sawadogo; Marc Diederich; Victor Wray; WenHan Lin; Matthias U. Kassack; Christoph Janiak; Stefanie Scheu; Sebastian Wesselborg; Tibor Kurtán; Amal H. Aly; Peter Proksch
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 12409 - 12425
• a: 10.6741 ± 0.0008 Å
• b: 12.3578 ± 0.0009 Å
• c: 15.4377 ± 0.0011 Å
• α: 90°
• β: 98.518 ± 0.003°
• γ: 90°
• Cell volume: 2013.9 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No