Information card for entry 1504576

Structure parameters

• Formula: C18 H26 O4
• Calculated formula: C18 H26 O4
• SMILES: O1C[C@]23[C@]45[C@H](C[C@H](C(=O)CC4)[C@@]15OC)C[C@H](O)[C@]2(C)CCC3.O1C[C@@]23[C@@]45[C@@H](C[C@@H](C(=O)CC4)[C@]15OC)C[C@@H](O)[C@@]2(C)CCC3
• Title of publication: An approach to the core skeleton of lancifodilactone F.
• Authors of publication: Wang, Qiaoling; Chen, Chuo
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 1223 - 1226
• a: 7.056 ± 0.005 Å
• b: 9.481 ± 0.005 Å
• c: 12.731 ± 0.005 Å
• α: 101.717 ± 0.005°
• β: 99.034 ± 0.005°
• γ: 107.867 ± 0.005°
• Cell volume: 771.4 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No