Information card for entry 7252102

Structure parameters

• Formula: C18 H17 F O4
• Calculated formula: C18 H17 F O4
• 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: 6.1169 ± 0.0001 Å
• b: 14.9307 ± 0.0002 Å
• c: 16.7379 ± 0.0003 Å
• α: 90°
• β: 100.073 ± 0.002°
• γ: 90°
• Cell volume: 1505.1 ± 0.04 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No