Information card for entry 1507348

Structure parameters

• Formula: C17 H14 O6
• Calculated formula: C17 H14 O6
• SMILES: O1c2c3c4C(=C(OC)[C@@H]1OC)OC(=O)c4ccc3cc(OC)c2
• Title of publication: Dioscorealides and dioscoreanone, novel cytotoxic naphthofuranoxepins, and 1,4-phenanthraquinone from Dioscorea membranacea Pierre.
• Authors of publication: Itharat, Arunporn; Plubrukarn, Anuchit; Kongsaeree, Palangpon; Bui, Tam; Keawpradub, Niwat; Houghton, Peter J.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 16
• Pages of publication: 2879 - 2882
• a: 6.6975 ± 0.0003 Å
• b: 14.1282 ± 0.0013 Å
• c: 15.0059 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1419.91 ± 0.18 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No