Information card for entry 1574775

Structure parameters

• Formula: C2.42 H2.12 N0.3 O0.12
• Calculated formula: C2.42424 H2.12121 N0.30303 O0.121212
• Title of publication: Rhodamine-based turn-on fluorescent and colorimetric chemosensor for selective Pb²⁺ detection: insights from crystal structure, molecular docking, real sample analysis, and logic gate applications.
• Authors of publication: Kumar, Ram; Singh, Bholey; Kakkar, Rita; Mittal, Avneesh; Pani, Balaram
• Journal of publication: Analytical methods : advancing methods and applications
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 4812 - 4830
• a: 10.7014 ± 0.0006 Å
• b: 13.0096 ± 0.0006 Å
• c: 13.6186 ± 0.0007 Å
• α: 90.271 ± 0.004°
• β: 111.301 ± 0.005°
• γ: 98.392 ± 0.004°
• Cell volume: 1744.12 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No