Information card for entry 4513749

Structure parameters

• Formula: C30 H25 N O3 S
• Calculated formula: C30 H25 N O3 S
• SMILES: S(=O)(=O)(N1C(=O)[C@H]([C@@H](C=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)C
• Title of publication: A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow
• Authors of publication: Izquierdo, Javier; Pericàs, Miquel A.
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 348
• a: 5.9234 ± 0.0003 Å
• b: 17.5385 ± 0.0009 Å
• c: 11.7578 ± 0.0005 Å
• α: 90°
• β: 95.5438 ± 0.0011°
• γ: 90°
• Cell volume: 1215.78 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No