Information card for entry 7014908

Structure parameters

• Formula: C16 H10 N2 S2
• Calculated formula: C16 H10 N2 S2
• SMILES: c1ccccc1c1sc2c(n1)sc(c1ccccc1)n2
• Title of publication: Diboron-containing fluorophores with extended ladder-type π-conjugated skeletons.
• Authors of publication: Li, Di; Zhang, Zuolun; Zhao, Shanshan; Wang, Yue; Zhang, Hongyu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 1279 - 1285
• a: 5.735 ± 0.004 Å
• b: 5.124 ± 0.003 Å
• c: 23.138 ± 0.0016 Å
• α: 90°
• β: 101.01 ± 0.03°
• γ: 90°
• Cell volume: 667.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No