Information card for entry 1577242

Structure parameters

• Formula: C21 H22 O5
• Calculated formula: C21 H22 O5
• Title of publication: Mastering the Potential of Well-defined ML 1 L 2 Species in Asymmetric Catalysis through Ligand Immobilization (ML het L hom ). Use in Highly Enantioselective Pd-catalyzed Spiroannulation
• Authors of publication: Biosca, Maria; De La Cruz-Sánchez, Pol; Faiges, Jorge; Maestro, Aitor; Kappe, C. Oliver; Ötvös, Sándor B.; Pericas, Miquel A.; Pamies, Oscar; Diéguez, Montserrat
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 6.69025 ± 0.00008 Å
• b: 10.33358 ± 0.00013 Å
• c: 25.2815 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1747.82 ± 0.04 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 K
• Number of distinct elements: 3
• 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: 0.0723
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No