Information card for entry 1508281

Structure parameters

• Formula: C19 H28 N2 O2 S
• Calculated formula: C19 H28 N2 O2 S
• SMILES: c1ccccc1N1O[C@H](C)C=C([C@H]1CCC)/C=N/S(=O)C(C)(C)C
• Title of publication: Highly Efficient Asymmetric Synthesis of Enantiopure Dihydro-1,2-oxazines: Dual-Organocatalyst-Promoted Asymmetric Cascade Reaction.
• Authors of publication: Lin, Hua; Tan, Yu; Sun, Xing-Wen; Lin, Guo-Qiang
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 3818 - 3821
• a: 9.2607 ± 0.0009 Å
• b: 10.5798 ± 0.0011 Å
• c: 20.273 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1986.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No