Information card for entry 4029032

Structure parameters

• Formula: C14 H12 N3 O2 S
• Calculated formula: C14 H13.5 O2 S
• Title of publication: 4,4'-Diarylsulfanyl-2,2',5,5'-tetraoxybiaryl Derivatives as a Water-Soluble Fluorescent Dye.
• Authors of publication: Kamimura, Akio; Nokubi, Tomomi; Watanabe, Ryusuke; Ishikawa, Mari; Nasu, Kotaro; Uno, Hidemitsu; Sumimoto, Michinori
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 3
• Pages of publication: 1068
• a: 14.549 ± 0.003 Å
• b: 5.7568 ± 0.0012 Å
• c: 14.436 ± 0.003 Å
• α: 90°
• β: 91.193 ± 0.006°
• γ: 90°
• Cell volume: 1208.8 ± 0.4 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 5.75
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No