Information card for entry 7109135

Structure parameters

• Common name: SVG453
• Formula: C16 H20 O6
• Calculated formula: C16 H20 O6
• SMILES: O[C@@]12CCCC[C@@]2(O)[C@H](O)C(=O)c2c1c(OC)ccc2OC.O[C@]12CCCC[C@]2(O)[C@@H](O)C(=O)c2c1c(OC)ccc2OC
• Title of publication: Model studies towards the challenging angularly-oxygenated core of several angucyclinones from an oxidative dearomatization strategy
• Authors of publication: Silvia Vila-Gisbert; Antonio Urbano; M. Carmen Carreno
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3561
• a: 11.5674 ± 0.0005 Å
• b: 12.7922 ± 0.0006 Å
• c: 10.8484 ± 0.0004 Å
• α: 90°
• β: 115.27 ± 0.002°
• γ: 90°
• Cell volume: 1451.65 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No