Information card for entry 4035553

Structure parameters

• Formula: C28 H20 Fe N2 O S2 Se2
• Calculated formula: C28 H20 Fe N2 O S2 Se2
• SMILES: [Se]([c]12[Fe]3456789([c]1([c]4([cH]5[cH]23)[Se]c1sccc1)C(=O)Nc1c2ncccc2ccc1)[cH]1[cH]6[cH]7[cH]9[cH]81)c1sccc1
• Title of publication: Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.
• Authors of publication: Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 15
• Pages of publication: 8241 - 8249
• a: 9.2482 ± 0.0011 Å
• b: 29.535 ± 0.004 Å
• c: 9.8061 ± 0.0011 Å
• α: 90°
• β: 108.106 ± 0.004°
• γ: 90°
• Cell volume: 2545.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No