Information card for entry 7222102

Structure parameters

• Formula: C24 H23 Br N2 S2
• Calculated formula: C24 H23 Br N2 S2
• SMILES: Brc1ccc(c2nc3c4sccc4c4c(scc4)c3n2CCCCCCC)cc1
• Title of publication: Benzodithieno-imidazole based π-conjugated fluorescent polymer probe for selective sensing of Cu2+
• Authors of publication: Giri, Dipanjan; Patra, Sanjib K.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 5.3489 ± 0.0014 Å
• b: 16.754 ± 0.004 Å
• c: 24.034 ± 0.006 Å
• α: 89.741 ± 0.008°
• β: 89.969 ± 0.009°
• γ: 89.739 ± 0.009°
• Cell volume: 2153.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1309
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No