Information card for entry 7132624

Structure parameters

• Chemical name: ST-5-154
• Formula: C19 H18 N2 O2
• Calculated formula: C19 H18 N2 O2
• SMILES: O=C(N1C(c2ccccc2)c2c(N(C(=O)C1)C)cccc2)C=C
• 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: 9.1979 ± 0.0004 Å
• b: 15.6759 ± 0.0008 Å
• c: 10.7636 ± 0.0005 Å
• α: 90°
• β: 95.704 ± 0.002°
• γ: 90°
• Cell volume: 1544.27 ± 0.13 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.0422
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0356
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No