Information card for entry 7203832

Structure parameters

• Formula: C18 H12 N2 S2
• Calculated formula: C17.997 H12 N2 S1.99925
• Title of publication: Poly(ethyleneglycol)(PEG): a versatile reaction medium in gaining access to 4′-(pyridyl)-terpyridines
• Authors of publication: Smith, Christopher B.; Raston, Colin L.; Sobolev, Alexandre N.
• Journal of publication: Green Chemistry
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 650
• a: 20.312 ± 0.003 Å
• b: 9.9902 ± 0.0015 Å
• c: 15.927 ± 0.002 Å
• α: 90°
• β: 108.289 ± 0.002°
• γ: 90°
• Cell volume: 3068.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No