Information card for entry 1542972

Structure parameters

• Formula: C17 H20 Cl N O2
• Calculated formula: C17 H20 Cl N O2
• SMILES: Clc1ccc([C@H]2[C@H]3N(CCC2=O)C(=O)CC(C3)(C)C)cc1
• Title of publication: Gold(I)-Catalyzed Hydroaminaloxylation and Petasis-Ferrier Rearrangement Cascade of Aminaloalkynes.
• Authors of publication: Gade, Amol B.; Patil, Nitin T.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1844 - 1847
• a: 6.2853 ± 0.0001 Å
• b: 10.2495 ± 0.0002 Å
• c: 23.3386 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1503.5 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0238
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No