Information card for entry 7252103

Structure parameters

• Formula: C17 H18 O5
• Calculated formula: C17 H18 O5
• Title of publication: Process-intensified enzymatic decarboxylation using immobilized arylmalonate decarboxylase for sustainable asymmetric synthesis of α-arylpropionic acids
• Authors of publication: Gerstenberger, Jan; Werbilo, Timm; Haas, Marvin; Serban, Simona; Basso, Alessandra; Domínguez de María, Pablo; Kara, Selin
• Journal of publication: Green Chemistry
• Year of publication: 2026
• a: 6.0978 ± 0.0001 Å
• b: 8.126 ± 0.0002 Å
• c: 30.3631 ± 0.0006 Å
• α: 90°
• β: 94.54 ± 0.002°
• γ: 90°
• Cell volume: 1499.79 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No