Information card for entry 7158533

Structure parameters

• Formula: C14 H16 O3
• Calculated formula: C14 H16 O3
• Title of publication: A concise synthesis of herbertenolide
• Authors of publication: Hu, Jiadong; Ji, Kai; Yan, Lihong; Yang, Siyu; Li, Yin; Wen, Wen; Chen, Le; Wu, Xiaohui; Hu, Youcai; Xie, Weiqing
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 7.3015 ± 0.0001 Å
• b: 11.6303 ± 0.0002 Å
• c: 28.2622 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2399.99 ± 0.06 ų
• Cell temperature: 172.97 ± 0.13 K
• Ambient diffraction temperature: 172.97 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No