Information card for entry 1504472

Structure parameters

• Formula: C18 H26 O4
• Calculated formula: C18 H26 O4
• SMILES: O=C1C[C@H]2OC(O[C@@H]2[C@H]2[C@@](C(=O)CC[C@@]12C)(C)CC=C)(C)C
• Title of publication: Intramolecular Diels-Alder/Tsuji allylation assembly of the functionalized trans-decalin of salvinorin A.
• Authors of publication: Burns, Aaron C.; Forsyth, Craig J.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 97 - 100
• a: 10.4487 ± 0.0014 Å
• b: 10.725 ± 0.0015 Å
• c: 15.021 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1683.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No