Information card for entry 7236838

Structure parameters

• Chemical name: lgc-108
• Formula: C35 H39 F6 N O4 P S2
• Calculated formula: C35 H39 F6 N O4 P S2
• Title of publication: Cation‒anion interaction directed dual-mode switchable mechanochromic luminescence
• Authors of publication: Li, Gaocan; Xu, Yangyang; Kong, Qunshou; Zhuang, Weihua; Wang, Yunbing
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 33
• Pages of publication: 8527
• a: 9.7167 ± 0.0003 Å
• b: 17.316 ± 0.0006 Å
• c: 21.7331 ± 0.0007 Å
• α: 90°
• β: 102.549 ± 0.003°
• γ: 90°
• Cell volume: 3569.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1325
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2622
• Weighted residual factors for all reflections included in the refinement: 0.2986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No