Information card for entry 4023284

Structure parameters

• Formula: C19 H21 N O2
• Calculated formula: C19 H21 N O2
• SMILES: c1c([C@@H]2O[C@H](c3ccccc3)CC(NC(=O)C)C2)cccc1
• Title of publication: Stereoselective One-Pot, Three-Component Synthesis of 4-Amidotetrahydropyran
• Authors of publication: U. C. Reddy; B. Rama Raju; E. K. Pramod Kumar; Anil K. Saikia
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 1628 - 1630
• a: 20.0166 ± 0.0007 Å
• b: 16.6428 ± 0.0006 Å
• c: 4.8318 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1609.63 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No