Information card for entry 4513748

Structure parameters

• Formula: C23.73 H18.45 Cl0.7 N O3.12 S
• Calculated formula: C23.725 H18.45 Cl0.7 N O3.125 S
• 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: 9.7227 ± 0.0006 Å
• b: 23.8357 ± 0.0014 Å
• c: 8.7364 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2024.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No