Information card for entry 7151970

Structure parameters

• Common name: Fused Butenolides
• Formula: C10 H12 O4
• Calculated formula: C10 H12 O4
• SMILES: O1C(=O)C(=C2C1CCCC2)CC(=O)O
• Title of publication: Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.
• Authors of publication: Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 6312 - 6322
• a: 18.725 ± 0.001 Å
• b: 10.407 ± 0.0009 Å
• c: 12.115 ± 0.0014 Å
• α: 90°
• β: 122.302 ± 0.001°
• γ: 90°
• Cell volume: 1995.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No