Information card for entry 1504471

Structure parameters

• Common name: 06039
• Formula: C19 H26 O6
• Calculated formula: C19 H26 O6
• SMILES: O(C1=C([C@H]2[C@](C(=O)C[C@H]3OC(O[C@H]23)(C)C)(CC1)C)C)C(=O)OCC=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: 13.2953 ± 0.0018 Å
• b: 9.3972 ± 0.0013 Å
• c: 15.81 ± 0.002 Å
• α: 90°
• β: 110.029 ± 0.002°
• γ: 90°
• Cell volume: 1855.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No