Information card for entry 7113088

Structure parameters

• Common name: md34
• Formula: C10 H11 N3 O3 S
• Calculated formula: C9.85 H9.75 N2.93 O2.91 S0.94
• Title of publication: Synthesis, modeling, and crystallographic study of 3,4-disubstituted-1,2,5-oxadiazoles and evaluation of their ability to decrease STAT3 activity
• Authors of publication: Shin, Dae-Seop; Masciocchi, Daniela; Gelain, Arianna; Villa, Stefania; Barlocco, Daniela; Meneghetti, Fiorella; Pedretti, Alessandro; Han, Young-Min; Han, Dong Cho; Kwon, Byoung-Mog; Legnani, Laura; Toma, Lucio
• Journal of publication: MedChemComm
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 156
• a: 5.589 ± 0.002 Å
• b: 10.096 ± 0.002 Å
• c: 10.981 ± 0.002 Å
• α: 70.085 ± 0.009°
• β: 86.169 ± 0.009°
• γ: 74.027 ± 0.009°
• Cell volume: 559.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1945
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No