Information card for entry 7063513

Structure parameters

• Chemical name: SCFCMPYR
• Formula: C18 H14 Fe N2 O2
• Calculated formula: C18 H14 Fe N2 O2
• Title of publication: Solid supported synthesis of pyrazinyl and oxindolyl tethered ferrocenyl conjugates with unusual rotational flexibility as promising inhibitors for HEWL amyloid fibrillation and cytotoxicity.
• Authors of publication: Halder, Biplob; Mitra , Amit; Mishra, Ananya; Naik, Lincoln; Sarkar, Nandini; Dhiman, Rohan; Chatterjee, Saurav
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 18.918 ± 0.0002 Å
• b: 5.9168 ± 0.0001 Å
• c: 25.4906 ± 0.0002 Å
• α: 90°
• β: 92.35 ± 0.0008°
• γ: 90°
• Cell volume: 2850.87 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.4275 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No