Information card for entry 7204348

Structure parameters

• Formula: C19 H23 N O3 S
• Calculated formula: C19 H23 N O3 S
• SMILES: S(=O)(=O)(N[C@@H]([C@@H](C(C)C)C=O)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N[C@H]([C@H](C(C)C)C=O)c1ccccc1)c1ccc(cc1)C
• Title of publication: Reaction of α-carbanion of imines with N-tosylimines: a facile route to β-aminoaldehydes and 1,3-diamines
• Authors of publication: Hou, Xue-Long; Luo, Yu-Mei; Yuan, Ke; Dai, Li-Xin
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 1487
• a: 9.4619 ± 0.0011 Å
• b: 9.8687 ± 0.0012 Å
• c: 10.133 ± 0.0012 Å
• α: 100.097 ± 0.002°
• β: 99.529 ± 0.002°
• γ: 91.423 ± 0.002°
• Cell volume: 917.26 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.646
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No