Information card for entry 1507118

Structure parameters

• Formula: C19 H22 O5
• Calculated formula: C19 H19 O6
• SMILES: O.C=CC[C@@H]1OC(=O)c2c(OC)cccc2C[C@@H]2O[C@@H](C1)CC(=O)C2.O.C=CC[C@H]1OC(=O)c2c(OC)cccc2C[C@H]2O[C@H](C1)CC(=O)C2
• Title of publication: Formal total synthesis of (-)-apicularen A via transannular conjugate addition.
• Authors of publication: Hilli, Ferdows; White, Jonathan M.; Rizzacasa, Mark A.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 1289 - 1292
• a: 22.939 ± 0.003 Å
• b: 7.421 ± 0.0008 Å
• c: 23.556 ± 0.003 Å
• α: 90°
• β: 116.912 ± 0.002°
• γ: 90°
• Cell volume: 3575.7 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1759
• Residual factor for significantly intense reflections: 0.1061
• Weighted residual factors for significantly intense reflections: 0.3016
• Weighted residual factors for all reflections included in the refinement: 0.346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No