Information card for entry 7160634

Structure parameters

• Formula: C21 H30 O2
• Calculated formula: C21 H30 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: 7.5383 ± 0.0001 Å
• b: 10.1336 ± 0.0001 Å
• c: 24.0107 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1834.18 ± 0.04 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No