Information card for entry 1504288

Structure parameters

• Formula: C15 H16 O4
• Calculated formula: C15 H16 O4
• SMILES: [C@@H]12[C@H](C(=O)[C@H](Cc3ccccc3)O2)[C@H]1C(=O)OCC
• Title of publication: Stereoselective synthesis of donor-acceptor substituted cyclopropafuranones by intramolecular cyclopropanation of vinylogous carbonates: divergent synthesis of tetrahydrofuran-3-one, tetrahydropyran-3-one, and lactones.
• Authors of publication: Gharpure, Santosh J.; Shukla, Manoj K.; Vijayasree, U.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 5466 - 5469
• a: 5.0129 ± 0.0002 Å
• b: 8.5049 ± 0.0003 Å
• c: 15.8364 ± 0.0006 Å
• α: 90°
• β: 93.115 ± 0.002°
• γ: 90°
• Cell volume: 674.17 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No