Information card for entry 7109134

Structure parameters

• Common name: SVG491-1
• Formula: C18 H24 O7
• Calculated formula: C18 H24 O7
• SMILES: c1(ccc(c2c1[C@]1(CCCC[C@]1([C@@H]([C@@H]2O)OC(=O)C)O)O)OC)OC.c1(ccc(c2c1[C@@]1(CCCC[C@@]1([C@H]([C@H]2O)OC(=O)C)O)O)OC)OC
• 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: 19.4252 ± 0.0003 Å
• b: 10.8267 ± 0.0001 Å
• c: 18.5071 ± 0.0003 Å
• α: 90°
• β: 116.938 ± 0.001°
• γ: 90°
• Cell volume: 3469.92 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0515
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No