Information card for entry 7238452

Structure parameters

• Formula: C11 H8 N4 S
• Calculated formula: C11 H8 N4 S
• Title of publication: Synthesis, properties and highly selective mitochondria staining with novel, stable and superior benzothiadiazole fluorescent probes
• Authors of publication: Neto, Brenno A. D.; Carvalho, Pedro H. P. R.; Santos, Diego C. B. D.; Gatto, Claudia C.; Ramos, Luciana M.; Vasconcelos, Nathalia M. de; Corrêa, José R.; Costa, Maísa B.; de Oliveira, Heibbe C. B.; Silva, Rafael G.
• Journal of publication: RSC Adv.
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 1524
• a: 22.9294 ± 0.0008 Å
• b: 3.8241 ± 0.0002 Å
• c: 23.2133 ± 0.0008 Å
• α: 90°
• β: 93.832 ± 0.002°
• γ: 90°
• Cell volume: 2030.89 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1956
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No