Information card for entry 7249216

Structure parameters

• Formula: C19 H20 O3
• Calculated formula: C19 H20 O3
• Title of publication: Conformational studies of biaryl-bridged seven-membered lactones with a quaternary carbon center.
• Authors of publication: Zhang, Yu; Yu, Yueyang; Ma, Xiaoqiang; Zhao, Xiaofei; Huang, Jialin; Zhao, Depeng
• Journal of publication: RSC advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 35
• Pages of publication: 25663 - 25668
• a: 8.339 ± 0.0004 Å
• b: 11.1632 ± 0.0006 Å
• c: 16.2872 ± 0.0007 Å
• α: 90°
• β: 93.877 ± 0.004°
• γ: 90°
• Cell volume: 1512.7 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.322
• Weighted residual factors for all reflections included in the refinement: 0.3254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No