Information card for entry 1572830

Structure parameters

• Formula: C30 H34 B N
• Calculated formula: C30 H34 B N
• SMILES: N(c1c2c(c(cc1)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)cccc2)(C)C
• Title of publication: Regioisomers 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; Soma, Venugopal Rao; Thilagar, Pakkirisamy; Chandrasekhar, Vadapalli
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 18364 - 18378
• 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