Information card for entry 1571756

Structure parameters

• Formula: C29 H28 Cl2 Fe N2 O3
• Calculated formula: C29 H28 Cl2 Fe N2 O3
• 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: 10.5013 ± 0.0003 Å
• b: 12.2497 ± 0.0004 Å
• c: 12.4905 ± 0.0004 Å
• α: 60.915 ± 0.002°
• β: 76.06 ± 0.002°
• γ: 73.339 ± 0.002°
• Cell volume: 1335.26 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No