Information card for entry 1505460

Structure parameters

• Common name: 07078a
• Formula: C18 H14 O6
• Calculated formula: C18 H14 O6
• SMILES: [C@@H]1(OC(=O)c2c3c(C(=O)c4c([C@@]13C)cccc4)oc2)C(=O)OCC.[C@H]1(OC(=O)c2c3c(C(=O)c4c([C@]13C)cccc4)oc2)C(=O)OCC
• Title of publication: Furanosteroid studies. Stereoselective synthesis of the A,B,E-ring core of wortmannin.
• Authors of publication: Sessions, E. Hampton; O'Connor, Jr, Roger T; Jacobi, Peter A.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 17
• Pages of publication: 3221 - 3224
• a: 10.5085 ± 0.0008 Å
• b: 13.2808 ± 0.001 Å
• c: 11.0909 ± 0.0009 Å
• α: 90°
• β: 101.738 ± 0.001°
• γ: 90°
• Cell volume: 1515.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No