Information card for entry 7057502

Structure parameters

• Formula: C21 H17 Fe N O3 S
• Calculated formula: C21 H17 Fe N O3 S
• Title of publication: N-Arylation of ferrocenyl 2,4-thiazolidinedione conjugates via a copper-catalysed Chan‒Lam cross coupling reaction with aryl boronic acids and their optoelectronic properties
• Authors of publication: Shinde, Dilip Nivrutti; Trivedi, Rajiv; Krishna, Jonnadula V. S.; Giribabu, L.; Sridhar, B.; Khursade, Parag S.; Prakasham, R. S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 12587
• a: 6.7825 ± 0.0001 Å
• b: 12.1423 ± 0.0002 Å
• c: 22.271 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1834.13 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1522
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No