Information card for entry 7159866

Structure parameters

• Formula: C38 H41 B Cl3 F2 I N2 O3 S
• Calculated formula: C38 H41 B Cl3 F2 I N2 O3 S
• SMILES: [I](c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1cc2n(c1)[B](F)(F)[n]1cccc1=C2c1ccccc1.S(=O)(=O)([O-])c1ccc(cc1)C.ClC(Cl)Cl
• Title of publication: BODIPY(aryl)iodonium salts in the efficient synthesis of diversely functionalized BODIPYs and selective detection of serum albumin.
• Authors of publication: Kumar, Bintu; Bhatta, Anindita; Saraf, Prakriti; Pandurang, Taur Prakash; Rangan, Krishnan; Sarkar, Madhushree; Mitra, Sivaprasad; Kumar, Dalip
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 17
• Pages of publication: 3405 - 3414
• a: 8.4096 ± 0.0001 Å
• b: 14.7442 ± 0.0002 Å
• c: 17.5925 ± 0.0002 Å
• α: 109.465 ± 0.001°
• β: 94.577 ± 0.001°
• γ: 105.526 ± 0.001°
• Cell volume: 1947.03 ± 0.05 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No