Information card for entry 7135094

Structure parameters

• Formula: C27 H13 B F10 N2 O S
• Calculated formula: C27 H13 B F10 N2 O 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: 9.6678 ± 0.0003 Å
• b: 10.2025 ± 0.0003 Å
• c: 13.9028 ± 0.0004 Å
• α: 104.522 ± 0.003°
• β: 95.869 ± 0.002°
• γ: 111.606 ± 0.003°
• Cell volume: 1205.04 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No