Information card for entry 7109133

Structure parameters

• Common name: SVG447
• Formula: C16 H20 O5
• Calculated formula: C16 H20 O5
• SMILES: COc1ccc(c2c1[C@@]1(CCCC[C@@]1(CC2=O)O)O)OC.COc1ccc(c2c1[C@]1(CCCC[C@]1(CC2=O)O)O)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: 7.3105 ± 0.0002 Å
• b: 12.5653 ± 0.0003 Å
• c: 16.0454 ± 0.0004 Å
• α: 90°
• β: 102.043 ± 0.001°
• γ: 90°
• Cell volume: 1441.47 ± 0.06 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No