Information card for entry 7218984

Structure parameters

• Formula: C25 H20 N4 S2
• Calculated formula: C25 H20 N4 S2
• SMILES: c1ccc2c3c(c4cccnc4c2n1)nc(c1ccc(c2cccs2)s1)n3CCCC
• Title of publication: Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges
• Authors of publication: Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 13.596 ± 0.004 Å
• b: 8.61 ± 0.003 Å
• c: 19.25 ± 0.006 Å
• α: 90°
• β: 113.6 ± 0.004°
• γ: 90°
• Cell volume: 2065 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No