Information card for entry 7249215

Structure parameters

• Formula: C17 H16 O3
• Calculated formula: C17 H16 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: 9.0416 ± 0.0003 Å
• b: 20.2173 ± 0.0005 Å
• c: 22.2247 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4062.6 ± 0.2 ų
• Cell temperature: 99.97 ± 0.13 K
• Ambient diffraction temperature: 99.97 ± 0.13 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: 0.0881
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No