Information card for entry 1572831

Structure parameters

• Formula: C30 H34 B N
• Calculated formula: C30 H34 B N
• SMILES: N(c1ccc2cc(B(c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)ccc2c1)(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: 7.9503 ± 0.0004 Å
• b: 8.3312 ± 0.0004 Å
• c: 19.4228 ± 0.0009 Å
• α: 78.527 ± 0.004°
• β: 89.087 ± 0.004°
• γ: 87.192 ± 0.004°
• Cell volume: 1259.23 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No