Information card for entry 1550479

Structure parameters

• Formula: C19 H22 O5
• Calculated formula: C19 H22 O5
• SMILES: O1C(=O)[C@H]2C3=C(C(=O)C[C@H](C3)C(=C)C)CC(=O)[C@@H]3[C@@](O)(C[C@@H]1[C@@H]23)C
• Title of publication: Correction: Enantioselective, convergent synthesis of the ineleganolide core by a tandem annulation cascade
• Authors of publication: Craig, Robert A.; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 22.5468 ± 0.0019 Å
• b: 10.4722 ± 0.0009 Å
• c: 7.3277 ± 0.0005 Å
• α: 90°
• β: 107.751 ± 0.005°
• γ: 90°
• Cell volume: 1647.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0277
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No