Information card for entry 7124308

Structure parameters

• Chemical name: Compound 7m
• Formula: C14 H12 N2 O4 S
• Calculated formula: C14 H12 N2 O4 S
• 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: 7.5711 ± 0.0004 Å
• b: 14.0965 ± 0.0008 Å
• c: 13.1401 ± 0.0007 Å
• α: 90°
• β: 90.629 ± 0.005°
• γ: 90°
• Cell volume: 1402.31 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No