Information card for entry 7238451

Structure parameters

• Formula: C11 H7 Br N4 S
• Calculated formula: C11 H7 Br 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: 4.3849 ± 0.0003 Å
• b: 23.419 ± 0.002 Å
• c: 11.2403 ± 0.001 Å
• α: 90°
• β: 100.743 ± 0.006°
• γ: 90°
• Cell volume: 1134.04 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No