Information card for entry 1575963

Structure parameters

• Common name: IPTZ
• Chemical name: IPTZ
• Formula: C18 H11 N S
• Calculated formula: C18 H11 N S
• Title of publication: Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.
• Authors of publication: Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 44
• Pages of publication: 21068 - 21078
• a: 16.2373 ± 0.0009 Å
• b: 7.596 ± 0.0004 Å
• c: 20.7374 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2557.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No