Information card for entry 4103314

Structure parameters

• Formula: C7 H8 O4
• Calculated formula: C7 H8 O4
• SMILES: C12(CCCC1)C(=O)OOC2=O
• Title of publication: Alkene Syn Dihydroxylation with Malonoyl Peroxides
• Authors of publication: James C. Griffith; Kevin M. Jones; Sylvain Picon; Michael J. Rawling; Benson M. Kariuki; Matthew Campbell; Nicholas C. O. Tomkinson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14409 - 14411
• a: 9.448 ± 0.0007 Å
• b: 6.465 ± 0.0005 Å
• c: 11.59 ± 0.0011 Å
• α: 90°
• β: 95.283 ± 0.003°
• γ: 90°
• Cell volume: 704.93 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No