Information card for entry 1506029

Structure parameters

• Formula: C20 H27 I N2 O2
• Calculated formula: C20 H27 I N2 O2
• SMILES: IC1=CN([C@@H](CC1=O)CC)C(=N\[C@H](COC)C(C)C)\c1ccccc1
• Title of publication: Stereoselective synthesis of pyridinones: application to the synthesis of (-)-barrenazines.
• Authors of publication: Focken, Thilo; Charette, André B
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 2985 - 2988
• a: 9.051 ± 0.003 Å
• b: 8.794 ± 0.002 Å
• c: 25.949 ± 0.009 Å
• α: 90°
• β: 90.87 ± 0.03°
• γ: 90°
• Cell volume: 2065.2 ± 1.1 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No