Information card for entry 1542695

Structure parameters

• Formula: C18 H24 O3
• Calculated formula: C18 H24 O3
• SMILES: [C@@]12([C@@H]3CC[C@H](C[C@H]3C=C[C@H]1[C@H]1[C@@H](C2=O)C(=O)O[C@H]1C)C)C
• Title of publication: Total Synthesis of (+)-Fusarisetin A Driven by a One-Pot Four-Reaction Process.
• Authors of publication: Liu, Chenguang; Zeng, Zhixiong; Chen, Renzhi; Jiang, Xunjin; Wang, Yinglu; Zhang, Yandong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 624 - 627
• a: 7.8269 ± 0.0015 Å
• b: 8.7254 ± 0.0017 Å
• c: 23.407 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1598.5 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0731
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No