Information card for entry 7159702

Structure parameters

• Formula: C17 H20 O6
• Calculated formula: C17 H20 O6
• Title of publication: Bioinspired synthesis and biological evaluation of <i>ent</i>-protulactones A and B.
• Authors of publication: Liang, Changxu; Hu, Chao; Nie, Pengpeng; Liu, Yuanfang; Liu, Jun; Du, Yuguo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 22
• Journal issue: 1
• Pages of publication: 175 - 183
• a: 7.1304 ± 0.0002 Å
• b: 10.9898 ± 0.0003 Å
• c: 20.539 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1609.47 ± 0.07 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No