Information card for entry 7151973

Structure parameters

• Common name: chromene
• Formula: C11 H16 O4
• Calculated formula: C11 H16 O4
• SMILES: O1C(=O)C[C@@H](C(=O)O)[C@H]2[C@@H]1C[C@@H](CC2)C.O1C(=O)C[C@H](C(=O)O)[C@@H]2[C@H]1C[C@H](CC2)C
• 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: 10.4595 ± 0.001 Å
• b: 8.2649 ± 0.0008 Å
• c: 13.4821 ± 0.0013 Å
• α: 90°
• β: 110.602 ± 0.002°
• γ: 90°
• Cell volume: 1090.95 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No