Information card for entry 7708816

Structure parameters

• Formula: C23.5 H23 Cl Fe N2 O3 S
• Calculated formula: C23.5 H23 Cl Fe N2 O3 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: 13.9949 ± 0.001 Å
• b: 11.5388 ± 0.0005 Å
• c: 15.5543 ± 0.0008 Å
• α: 90°
• β: 106.06 ± 0.007°
• γ: 90°
• Cell volume: 2413.7 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0843
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No