Information card for entry 1555518

Structure parameters

• Formula: C18 H22 O5
• Calculated formula: C18 H22 O5
• SMILES: O(c1ccc(OC)c2C3=C[C@H](O)CC[C@]3(CCc12)C(=O)OC)C.O(c1ccc(OC)c2C3=C[C@@H](O)CC[C@@]3(CCc12)C(=O)OC)C
• Title of publication: An approach to (±)-Lingzhiol.
• Authors of publication: Li, Xiaoyu; Liu, Xiaoyu; Jiao, Xiaozhen; Yang, Hongguang; Yao, Yangyang; Xie, Ping
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1944 - 1946
• a: 6.613 ± 0.005 Å
• b: 28.29 ± 0.012 Å
• c: 8.886 ± 0.004 Å
• α: 90°
• β: 103.404 ± 0.01°
• γ: 90°
• Cell volume: 1617.1 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1519
• 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