Information card for entry 7230266

Structure parameters

• Formula: C26 H21 Fe N
• Calculated formula: C26 H21 Fe N
• Title of publication: An efficient and green synthesis of ferrocenyl-quinoline conjugates via a TsOH-catalyzed three-component reaction in water
• Authors of publication: Mou, Rui-Qi; Zhao, Mei; Lv, Xue-Xin; Zhang, Sheng-Yan; Guo, Dian-Shun
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 9555
• a: 8.36603 ± 0.00017 Å
• b: 20.5582 ± 0.0004 Å
• c: 11.349 ± 0.0002 Å
• α: 90°
• β: 107.835 ± 0.002°
• γ: 90°
• Cell volume: 1858.12 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.042
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No