Information card for entry 7721072

Structure parameters

• Formula: C16 H14 N2 O4
• Calculated formula: C16 H14 N2 O4
• Title of publication: Crystallographic and Theoretical Insights into a Fluorogenic Turn-On Probe for Selective Fe³⁺ Detection with Biomolecular Binding and In Vitro Anticancer Studies
• Authors of publication: Shinziya, Hazeena; Das, Avijit Kumar; Suresh, Sahana; Brandão, Paula; Saha, Urmila; Karan, Gouri; Choudhury, Sujata Maiti; Dolai, Malay
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 4.4771 ± 0.0002 Å
• b: 23.9266 ± 0.0013 Å
• c: 13.2809 ± 0.0007 Å
• α: 90°
• β: 93.512 ± 0.002°
• γ: 90°
• Cell volume: 1420 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No