Information card for entry 1504577

Structure parameters

• Formula: C18 H26 O4
• Calculated formula: C18 H26 O4
• SMILES: O([C@@]12OC[C@@]34[C@]([C@@H](O)C[C@H]5[C@]14CCC(=O)[C@@H]2C5)(C)CCC3)C.O([C@]12OC[C@]34[C@@]([C@H](O)C[C@@H]5[C@@]14CCC(=O)[C@H]2C5)(C)CCC3)C
• 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: 9.835 ± 0.003 Å
• b: 13.049 ± 0.003 Å
• c: 13.934 ± 0.007 Å
• α: 103.045 ± 0.007°
• β: 102.745 ± 0.01°
• γ: 108.223 ± 0.016°
• Cell volume: 1570.7 ± 1 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: 0.1191
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.199
• Weighted residual factors for all reflections included in the refinement: 0.2591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No