Information card for entry 7064270

Structure parameters

• Formula: C18 H12 N8 O16
• Calculated formula: C18 H12 N8 O16
• Title of publication: Supramolecular networks of picrate derivatives with tunable hydrogen-bonding densities for selective bacterial killing
• Authors of publication: Sarkar, Sresha; Sultana, Shabnam; Jover, Jesús; Chowdhury, Nilkanta; Bagchi, Angshuman; Das, Chandan; Goswami, Swapnadeep; Chattopadhyay, Dipankar; Roy, Raj Kumar; Saha, Supriyo; Zangrando, Ennio; Sanyal, Ria
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 2994 - 3018
• a: 10.4079 ± 0.0001 Å
• b: 9.2402 ± 0.0001 Å
• c: 23.1207 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2223.54 ± 0.04 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No