Information card for entry 1555517

Structure parameters

• Formula: C15 H16 O3
• Calculated formula: C15 H16 O3
• SMILES: O1C(=O)[C@@]23[C@](c4ccccc4CC3)([C@@H](O)CC2)C1.O1C(=O)[C@]23[C@@](c4ccccc4CC3)([C@H](O)CC2)C1
• 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: 29.475 ± 0.011 Å
• b: 29.475 ± 0.011 Å
• c: 7.245 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5451 ± 4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No