Information card for entry 1554899

Structure parameters

• Formula: C24 H36 O3
• Calculated formula: C24 H36 O3
• SMILES: O=C1C[C@]2(C[C@H]3[C@@H](CC[C@@]45[C@@H](CC[C@@H]4[C@@]3(OC5=O)C[C@H]2[C@@H]1C(C)C)C)C)C
• Title of publication: Asymmetric total synthesis of (+)-astellatol and (−)-astellatene
• Authors of publication: Zhao, Nan; Xie, Shengling; Tian, Peilin; Tong, Rongbiao; Ning, Chengqing; Xu, Jing
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 2014
• a: 8.9194 ± 0.0008 Å
• b: 12.8315 ± 0.0012 Å
• c: 18.5057 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2118 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0724
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No