Information card for entry 7135850

Structure parameters

• Formula: C13 H14 N4 O4
• Calculated formula: C13 H14 N4 O4
• Title of publication: Active Pharmaceutical Ingredient Incorporated Supramolecular Materials as Antibacterial Agents
• Authors of publication: Jayabhavan, Sreejith Sudhakaran; Chandramouli, Arthi; Jayakumar, R.; Damodaran, Krishna K.
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 10.3896 ± 0.0008 Å
• b: 10.9685 ± 0.0008 Å
• c: 11.9682 ± 0.0009 Å
• α: 90°
• β: 94.64 ± 0.003°
• γ: 90°
• Cell volume: 1359.41 ± 0.18 ų
• Cell temperature: 305 ± 2 K
• Ambient diffraction temperature: 305 ± 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: 0.096
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No