Information card for entry 1556104

Structure parameters

• Formula: C19 H19 N O3 S
• Calculated formula: C19 H19 N O3 S
• SMILES: O1C[C@@H]2Cc3ccccc3[C@H]([C@H]1Sc1ccccc1)N2C(=O)OC.O1C[C@H]2Cc3ccccc3[C@@H]([C@@H]1Sc1ccccc1)N2C(=O)OC
• Title of publication: New strategy for the synthesis of tetrahydroisoquinoline alkaloids.
• Authors of publication: Magnus, Philip; Matthews, Kenneth S.; Lynch, Vince
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 2181 - 2184
• a: 11.0472 ± 0.0002 Å
• b: 7.6308 ± 0.0001 Å
• c: 19.6869 ± 0.0003 Å
• α: 90°
• β: 92.423 ± 0.001°
• γ: 90°
• Cell volume: 1658.1 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No