Information card for entry 7248945

Structure parameters

• Formula: C13.75 H10.75 N O4
• Calculated formula: C13.75 H10.75 N O4
• Title of publication: 5-Aminoisophthalate-based kojic acid-appended bis-1,2,3-triazole: a fluorescent chemosensor for Cu2+ sensing and in silico study
• Authors of publication: Kumar, Sachin; Lal, Bajrang; Singh, Gurleen; Muskan,; Tittal, Ram Kumar; Singh, Jandeep; Vikas D., Ghule; Sharma, Renu
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 29
• Pages of publication: 20908 - 20922
• a: 4.7711 ± 0.0006 Å
• b: 13.43 ± 0.005 Å
• c: 19.544 ± 0.002 Å
• α: 90°
• β: 94.722 ± 0.01°
• γ: 90°
• Cell volume: 1248 ± 0.5 ų
• Cell temperature: 216 ± 50 K
• Ambient diffraction temperature: 216 ± 50 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: 0.0734
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No