Information card for entry 1547562

Structure parameters

• Formula: C15 H14 O5
• Calculated formula: C15 H14 O5
• SMILES: O(C)C(=O)[C@@]1([C@H]2OC=C([C@@H]12)C(=O)OC)c1ccccc1
• Title of publication: Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.
• Authors of publication: Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4722 - 4725
• a: 16.4819 ± 0.0002 Å
• b: 5.7733 ± 0.0001 Å
• c: 14.4387 ± 0.0002 Å
• α: 90°
• β: 106.49 ± 0.001°
• γ: 90°
• Cell volume: 1317.4 ± 0.03 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No