Information card for entry 7159727

Structure parameters

• Formula: C13 H18 O4
• Calculated formula: C13 H18 O4
• Title of publication: Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.
• Authors of publication: Fernandes, Rodney A.; Ranjan, Ravikant S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 4
• Pages of publication: 811 - 822
• a: 7.5355 ± 0.0003 Å
• b: 7.5626 ± 0.0002 Å
• c: 11.2958 ± 0.0003 Å
• α: 90°
• β: 103.257 ± 0.003°
• γ: 90°
• Cell volume: 626.57 ± 0.04 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0525
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No