Information card for entry 7132623

Structure parameters

• Chemical name: ST-5-156
• Formula: C18 H18 N2 O3 S
• Calculated formula: C18 H18 N2 O3 S
• Title of publication: Diazepam-based covalent modifiers of GPX4 induce ferroptosis in liver cancer cells.
• Authors of publication: Yadav, Dharmendra K.; Tiwari, Sona; Senthil, Sathyapriya; Vechalapu, Sai Kumari; Duraisamy, Santhosh; Rawat, Viral; Rahman, Mohammed Isfahur; Khanna, Shweta; Allimuthu, Dharmaraja
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 14
• Pages of publication: 1928 - 1931
• a: 13.7896 ± 0.0003 Å
• b: 9.0412 ± 0.0002 Å
• c: 13.8981 ± 0.0004 Å
• α: 90°
• β: 108.87 ± 0.001°
• γ: 90°
• Cell volume: 1639.61 ± 0.07 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0378
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No