Information card for entry 1514601

Structure parameters

• Chemical name: Title
• Formula: C8 H10 O4
• Calculated formula: C8 H10 O4
• SMILES: O(C(=O)[C@]12C(=O)O[C@@H]([C@H]1C2)C)C.O(C(=O)[C@@]12C(=O)O[C@H]([C@@H]1C2)C)C
• Title of publication: Stereoselective intramolecular cyclopropanation through catalytic olefin activation
• Authors of publication: Huang, Xueliang; Klimczyk, Sebastian; Veiros, Luís F.; Maulide, Nuno
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 1105
• a: 6.6342 ± 0.0003 Å
• b: 7.2435 ± 0.0003 Å
• c: 9.0416 ± 0.0004 Å
• α: 101.074 ± 0.002°
• β: 109.754 ± 0.002°
• γ: 99.964 ± 0.001°
• Cell volume: 387.76 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No