Information card for entry 7710128

Structure parameters

• Formula: C24 H18 B Cl F2 N5
• Calculated formula: C24 H18 B Cl F2 N5
• Title of publication: Iodine(III)-promoted regioselective and efficient synthesis of β-triazolyl BODIPYs for the selective recognition of nickel ion and bovine serum albumin
• Authors of publication: Kumar, Dalip; Mitra, Sivaprasad; Sarkar, Madhushree; Krishnan, R.; Kumar, Bintu; Bhatta, Anindita; Saraf, Prakriti
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 6.209 ± 0.0001 Å
• b: 11.2054 ± 0.0001 Å
• c: 15.9859 ± 0.0002 Å
• α: 104.666 ± 0.001°
• β: 100.04 ± 0.001°
• γ: 97.394 ± 0.001°
• Cell volume: 1041.91 ± 0.02 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No