Information card for entry 7224161

Structure parameters

• Formula: C5 H14 N3 O3 P S
• Calculated formula: C5 H14 N3 O3 P S
• Title of publication: Phosphorhydrazides inhibitors: toxicological profile and antimicrobial evaluation assay, molecular modeling and QSAR study
• Authors of publication: Gholivand, Khodayar; Ebrahimi valmoozi, Ali Asghar; asadi, lida; hodaie, merat; sharifi, mahboobeh; Mazruee Kashani, hadi; Mahzouni, Hamid R.; Ghadamyari, Mohammad; kalateh, Ali Asghar; davari, ehsan; salehi, sami; Bonsaii, Mahyar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.06 ± 0.0005 Å
• b: 9.2136 ± 0.0005 Å
• c: 25.37 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2117.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No