Information card for entry 1571757

Structure parameters

• Formula: C27 H27 Cl Fe N2 O2 S
• Calculated formula: C27 H27 Cl Fe N2 O2 S
• Title of publication: How does ferrocene correlate with ferroptosis? Multiple approaches to explore ferrocene-appended GPX4 inhibitors as anticancer agents.
• Authors of publication: Li, Wei; Yu, Jing; Wang, Jing; Fan, Xuejing; Xu, Ximing; Wang, Hui; Xiong, Ying; Li, Xinyu; Zhang, Xiaomin; Zhang, Qianer; Qi, Xin; Pigeon, Pascal; Gu, Qing; Bruno-Colmenarez, Julia; Jaouen, Gérard; McGlinchey, Michael J.; Qiu, Xue; You, Shu-Li; Li, Jing; Wang, Yong
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 27
• Pages of publication: 10477 - 10490
• a: 15.0583 ± 0.0004 Å
• b: 17.6346 ± 0.0005 Å
• c: 9.3797 ± 0.0003 Å
• α: 90°
• β: 90.429 ± 0.002°
• γ: 90°
• Cell volume: 2490.68 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No