Information card for entry 4517639

Structure parameters

• Formula: C20 H32
• Calculated formula: C20 H32
• SMILES: [C@H]12[C@@H]3[C@@H](CC[C@@H]2C([C@]2([C@H]1C(=C(CC3)C)CC2)C)(C)C)C
• Title of publication: Fragrant Venezuelaenes A and B with A 5–5–6–7 Tetracyclic Skeleton: Discovery, Biosynthesis, and Mechanisms of Central Catalysts
• Authors of publication: Li, Zhong; Jiang, Yuanyuan; Zhang, Xingwang; Chang, Yimin; Li, Shuai; Zhang, Xiaomin; Zheng, Shanmin; Geng, Ce; Men, Ping; Ma, Li; Yang, Ying; Gao, Zhengquan; Tang, Ya-Jie; Li, Shengying
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 5846 - 5851
• a: 13.5688 ± 0.0014 Å
• b: 11.1801 ± 0.001 Å
• c: 11.1208 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1687 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No