Information card for entry 7103203

Structure parameters

• Formula: C16 H14 O4
• Calculated formula: C16 H14 O4
• SMILES: O1[C@@H]2O[C@@H]([C@H](O)c3c2cccc3)c2cccc(OC)c12.O1[C@H]2O[C@H]([C@@H](O)c3c2cccc3)c2cccc(OC)c12
• Title of publication: An expeditious one-step entry to the tetracyclic core of integrastatins.
• Authors of publication: Ramana, C V; Nageswara Reddy, Challa; Gonnade, Rajesh G
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3151 - 3153
• a: 7.896 ± 0.002 Å
• b: 12.117 ± 0.003 Å
• c: 13.238 ± 0.004 Å
• α: 90°
• β: 97.439 ± 0.005°
• γ: 90°
• Cell volume: 1255.8 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No