Information card for entry 7710927

Structure parameters

• Formula: C15 H24 Au O2 P S
• Calculated formula: C15 H24 Au O2 P S
• Title of publication: Synthesis, chemical characterization, and biological evaluation of a novel auranofin derivative as an anticancer agent
• Authors of publication: Cirri, Damiano; Massai, Lara; Giacomelli, Chiara; Trincavelli, Maria Letizia; Guerri, Annalisa; Gabbiani, Chiara; Messori, Luigi; Pratesi, Alessandro
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 43.937 ± 0.002 Å
• b: 12.285 ± 0.0006 Å
• c: 12.994 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7013.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No