Information card for entry 1572832

Structure parameters

• Formula: C34 H41 B Cl4 F3 N O3 S
• Calculated formula: C34 H41 B Cl4 F3 N O3 S
• Title of publication: Regio Isomers Containing Triarylboron-Based Motifs as Multi-Functional Photoluminescent Materials. From Dual-mode Delayed Emission to pH-Switchable Room-Temperature Phosphorescence
• Authors of publication: Arumugam, Ramar; Muhammed Munthasir, Akkarakkaran Thayyil; Kannan, Ramkumar; Banerjee, Dipanjan; Sudhakar, Pagidi; Rao, Soma; Thilagar, P.; Chandrasekhar, Vadapalli
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 17.9022 ± 0.0007 Å
• b: 8.3999 ± 0.0003 Å
• c: 47.941 ± 0.0016 Å
• α: 90°
• β: 94.795 ± 0.003°
• γ: 90°
• Cell volume: 7184 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No