Information card for entry 1504579

Structure parameters

• Formula: C21 H32 O4
• Calculated formula: C21 H32 O4
• SMILES: O1C[C@@]23CCC[C@@]2(C)[C@@H](O)C[C@@H]2[C@]43[C@@]1(OC)[C@H](C2)[C@@](O)(CC4)C(=C)C.O1C[C@]23CCC[C@]2(C)[C@H](O)C[C@H]2[C@@]43[C@]1(OC)[C@@H](C2)[C@](O)(CC4)C(=C)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: 7.651 ± 0.005 Å
• b: 12.277 ± 0.004 Å
• c: 19.937 ± 0.005 Å
• α: 90 ± 0°
• β: 90.869 ± 0.015°
• γ: 90 ± 0°
• Cell volume: 1872.5 ± 1.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No