Information card for entry 4033062

Structure parameters

• Formula: C19 H22 O6
• Calculated formula: C19 H22 O6
• SMILES: [C@@]123[C@@](CCc4c(ccc(c14)OC)OC)(CC[C@@H]2OC(=O)C)C(=O)OC3.[C@]123[C@](CCc4c(ccc(c14)OC)OC)(CC[C@H]2OC(=O)C)C(=O)OC3
• Title of publication: A Radical-Based Synthesis of Lingzhiol.
• Authors of publication: Mehl, Lea-Marina; Maier, Martin E.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 18
• Pages of publication: 9844 - 9850
• a: 7.937 ± 0.003 Å
• b: 9.671 ± 0.004 Å
• c: 11.189 ± 0.004 Å
• α: 82.485 ± 0.009°
• β: 77.888 ± 0.008°
• γ: 74.91 ± 0.017°
• Cell volume: 808.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No