Information card for entry 7160635

Structure parameters

• Formula: C20 H28 O2
• Calculated formula: C20 H28 O2
• Title of publication: Asymmetric synthesis and biological evaluation of ottensinin and its analogues.
• Authors of publication: Liang, Jun-Ting; Xu, Zichen; Xie, Yong-Bin; Chen, Wen-Tao; He, Yu-Tao; Hu, Ya-Jian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 30
• Pages of publication: 7120 - 7123
• a: 6.3288 ± 0.0003 Å
• b: 7.2917 ± 0.0004 Å
• c: 20.5591 ± 0.0008 Å
• α: 91.255 ± 0.004°
• β: 97.617 ± 0.004°
• γ: 114.449 ± 0.005°
• Cell volume: 852.96 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0737
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No