Information card for entry 7159348

Structure parameters

• Formula: C39 H39 Cl N6 O2
• Calculated formula: C39 H39 Cl N6 O2
• Title of publication: A colorimetric and 'OFF-ON' fluorometric chemosensor based on a rhodamine-pyrazole derivative for the detection of Al³⁺, Fe³⁺and Cr³⁺metal ions, and its intracellular application.
• Authors of publication: Gond, Sarita; Yadav, Pranjalee; Singh, Aayoosh; Garai, Somenath; Shekher, Anusmita; Gupta, Subash Chandra; Singh, Vinod P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4482 - 4490
• a: 12.2907 ± 0.0004 Å
• b: 9.6187 ± 0.0002 Å
• c: 29.8472 ± 0.0007 Å
• α: 90°
• β: 97.427 ± 0.002°
• γ: 90°
• Cell volume: 3498.95 ± 0.16 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.1082
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.2133
• Weighted residual factors for all reflections included in the refinement: 0.2474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No