Information card for entry 1531047

Structure parameters

• Formula: C30 H21 F3 N2
• Calculated formula: C30 H21 F3 N2
• SMILES: FC(F)(F)c1ccc(n2nc(c(c2c2ccccc2)c2ccc(C=C)cc2)c2ccccc2)cc1
• Title of publication: Tetraaryl pyrazole polymers: versatile synthesis, aggregation induced emission enhancement and detection of explosives
• Authors of publication: Mukundam, Vanga; Kumar, Atul; Dhanunjayarao, Kunchala; Ravi, Arthi; Peruncheralathan, S.; Venkatasubbaiah, Krishnan
• Journal of publication: Polym. Chem.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 44
• Pages of publication: 7764
• a: 28.3793 ± 0.0016 Å
• b: 8.2635 ± 0.0004 Å
• c: 21.2253 ± 0.0014 Å
• α: 90°
• β: 112.455 ± 0.007°
• γ: 90°
• Cell volume: 4600.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No