Information card for entry 1507655

Structure parameters

• Formula: C13 H15 Fe N O Se
• Calculated formula: C13 H15 Fe N O Se
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=[Se])NCCO)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties.
• Authors of publication: Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2012
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 4652 - 4663
• a: 17.983 ± 0.0019 Å
• b: 7.4102 ± 0.0008 Å
• c: 19.235 ± 0.002 Å
• α: 90°
• β: 93.649 ± 0.002°
• γ: 90°
• Cell volume: 2558 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No