Information card for entry 7135095

Structure parameters

• Formula: C28 H16 B F10 N3 S
• Calculated formula: C28 H16 B F10 N3 S
• Title of publication: Highly emissive boron-α-thioimidinates: substituent control of photophysics and charge transport properties.
• Authors of publication: Murali, Anna Chandrasekar; Raj, Ankit; Veerapathiran, Sabari; Senanayak, Satyaprasad P.; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 93
• Pages of publication: 18396 - 18399
• a: 9.8457 ± 0.0003 Å
• b: 10.564 ± 0.0004 Å
• c: 13.7846 ± 0.0004 Å
• α: 105.553 ± 0.003°
• β: 90.551 ± 0.002°
• γ: 113.918 ± 0.003°
• Cell volume: 1251.18 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No