Information card for entry 4117411

Structure parameters

• Common name: ubsc04
• Formula: C30 H27 N O2 S
• Calculated formula: C30 H27 N O2 S
• SMILES: S(=O)(=O)(N1[C@@H](Cc2c1cccc2)CC=C(c1ccccc1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Copper-Catalyzed Enantioselective Intramolecular Alkene Amination/Intermolecular Heck-Type Coupling Cascade
• Authors of publication: Timothy W. Liwosz; Sherry R. Chemler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2020 - 2023
• a: 7.3579 ± 0.0019 Å
• b: 16.661 ± 0.004 Å
• c: 39.735 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4871 ± 2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0777
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No