Information card for entry 7124310

Structure parameters

• Chemical name: Compound 6m
• Formula: C14 H12 N2 O4 S2
• Calculated formula: C14 H12 N2 O4 S2
• Title of publication: Trisulfides over Disulfides: Highly Selective Synthetic Strategies, Anti-proliferative Activities and Sustained H2S Release Profiles
• Authors of publication: Bhabak, Krishna Pada; Bhattacherjee, Debojit; Sufian, Abu; Mahato, Sulendar K.; Begum, Samiyara; Banerjee, Kaustav; De, Sharmistha; Srivastava, Hemant Kumar
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.6592 ± 0.0005 Å
• b: 7.8745 ± 0.0003 Å
• c: 14.1331 ± 0.0005 Å
• α: 90°
• β: 99.026 ± 0.002°
• γ: 90°
• Cell volume: 1501.32 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No