Information card for entry 1504473

Structure parameters

• Common name: 07010
• Formula: C18 H26 O4
• Calculated formula: C18 H26 O4
• SMILES: O1[C@@H]2[C@@H](OC1(C)C)CC(=O)[C@@]1(CCC(=O)[C@]([C@@H]21)(C)CC=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: 8.5681 ± 0.0008 Å
• b: 9.8276 ± 0.0009 Å
• c: 9.9822 ± 0.001 Å
• α: 90°
• β: 96.726 ± 0.002°
• γ: 90°
• Cell volume: 834.75 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No