Information card for entry 1547561

Structure parameters

• Chemical name: Q075
• Formula: C13 H12 O3
• Calculated formula: C13 H12 O3
• SMILES: O(C(=O)[C@@]1([C@H]2OC=C[C@@H]12)c1ccccc1)C
• 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: 8.1779 ± 0.0002 Å
• b: 8.8079 ± 0.0002 Å
• c: 15.2085 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1095.47 ± 0.04 ų
• Cell temperature: 122.99 ± 0.1 K
• Ambient diffraction temperature: 122.99 ± 0.1 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: 0.0258
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No