Information card for entry 4033899

Structure parameters

• Formula: C20 H28 O3
• Calculated formula: C20 H28 O3
• SMILES: O[C@H]1CC(=CC=C2C3=C(C[C@@H](O)[C@]3(C)CC[C@@]12C)C(C)C)C=O
• Title of publication: Synthetic Studies on Enantioselective Total Synthesis of Cyathane Diterpenoids: Cyrneines A and B, Glaucopine C, and (+)-Allocyathin B₂.
• Authors of publication: Wu, Guo-Jie; Zhang, Yuan-He; Tan, Dong-Xing; He, Long; Cao, Bao-Chen; He, Yu-Peng; Han, Fu-She
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 6
• Pages of publication: 3223 - 3238
• a: 6.9296 ± 0.0002 Å
• b: 13.6851 ± 0.0003 Å
• c: 18.2162 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1727.48 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No