Information card for entry 7063127

Structure parameters

• Formula: C19 H20 N2 O4
• Calculated formula: C19 H20 N2 O4
• Title of publication: Oxazoline amino acid bioconjugates: One-pot synthesis and analysis of supramolecular interactions
• Authors of publication: Bakija, Marija; Peric, Berislav; Kirin, Srećko I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 14.4335 ± 0.0002 Å
• b: 13.2892 ± 0.0002 Å
• c: 9.499 ± 0.0002 Å
• α: 90°
• β: 105.099 ± 0.002°
• γ: 90°
• Cell volume: 1759.1 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0587
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No