Information card for entry 1505217

Structure parameters

• Formula: C22 H22 O9
• Calculated formula: C22 H22 O9
• SMILES: C1(=O)c2c(c3c(c(c2CO1)C)OC(=O)c1c(c(c(cc1C)O)CO)O3)O.O1CCCC1
• Title of publication: Excelsione, a depsidone from an endophytic fungus isolated from the New Zealand endemic tree Knightia excelsa.
• Authors of publication: Lang, Gerhard; Cole, Anthony L. J.; Blunt, John W.; Robinson, Ward T.; Munro, Murray H. G.
• Journal of publication: Journal of natural products
• Year of publication: 2007
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 310 - 311
• a: 34.5928 ± 0.0015 Å
• b: 6.8066 ± 0.0003 Å
• c: 16.9849 ± 0.0007 Å
• α: 90°
• β: 97.148 ± 0.002°
• γ: 90°
• Cell volume: 3968.2 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• 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: 0.093
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No