Information card for entry 7159718

Structure parameters

• Formula: C15 H24 O3
• Calculated formula: C15 H24 O3
• SMILES: Oc1cc(oc(=O)c1CCCCCC)CC(C)C
• Title of publication: Two-step, high-yielding total synthesis of antibiotic pyrones.
• Authors of publication: Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 3
• Pages of publication: 554 - 560
• a: 5.2134 ± 0.0006 Å
• b: 9.7698 ± 0.001 Å
• c: 15.9903 ± 0.0012 Å
• α: 96.982 ± 0.007°
• β: 91.685 ± 0.008°
• γ: 96.327 ± 0.009°
• Cell volume: 802.73 ± 0.14 ų
• Cell temperature: 297.6 K
• Ambient diffraction temperature: 297.6 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2517
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No