Information card for entry 7708817

Structure parameters

• Formula: C18 H20 Fe N2 O2 S
• Calculated formula: C18 H20 Fe N2 O2 S
• Title of publication: Impact Of The Ferrocenyl Group On Cytotoxicity And KSP Inhibitory Activity Of Ferrocenyl Monastrol Conjugates
• Authors of publication: Wieczorek, Anna; Kowalczyk, Karolina; Blauz, Andrzej; Makal, Anna; Pawlędzio, Sylwia; Eurtivong, Chatchakorn; Arabshahi, John; Reynisson, Johannes; Hartinger, Christian; Rychlik, Blazej; Plazuk, Damian
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 18.7579 ± 0.0002 Å
• b: 7.28947 ± 0.00008 Å
• c: 24.6904 ± 0.0003 Å
• α: 90°
• β: 97.4762 ± 0.0011°
• γ: 90°
• Cell volume: 3347.35 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No