Information card for entry 1572830

Structure parameters

• Formula: C30 H34 B N
• Calculated formula: C30 H34 B N
• 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: 8.3637 ± 0.0003 Å
• b: 14.3587 ± 0.0006 Å
• c: 21.379 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2567.44 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No