Information card for entry 1576045

Structure parameters

• Formula: C27 H19 N S
• Calculated formula: C27 H19 N S
• Title of publication: A dual-functional AIE luminogen for sensitive nitro explosive detection and efficient photolabeling.
• Authors of publication: Heena, ?; Naithani, Sudhanshu; Sangeeta, ?; Guchhait, Biswajit; Medda, Nandita; Roy, Partha; Goswami, Tapas; Kumar, Sushil
• Journal of publication: Analytical methods : advancing methods and applications
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 43
• Pages of publication: 8745 - 8753
• a: 8.9312 ± 0.0005 Å
• b: 10.4343 ± 0.0007 Å
• c: 12.5929 ± 0.0007 Å
• α: 73.098 ± 0.005°
• β: 70.992 ± 0.005°
• γ: 65.822 ± 0.006°
• Cell volume: 995.24 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No