Information card for entry 8106915

Structure parameters

• Formula: C24 H19 Fe N3 O2 S
• Calculated formula: C24 H19 Fe N3 O2 S
• Title of publication: Crystal structure of (E)-2-styryl-1-ferrocenylsulfonyl-1H-imidazo[4,5-b]pyridine, C24H19FeN3O2S
• Authors of publication: Wang, Lu-Yao; Guo, Xiao-Long; Li, Lu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 481 - 483
• a: 8.6762 ± 0.0009 Å
• b: 12.4684 ± 0.0012 Å
• c: 19.256 ± 0.002 Å
• α: 90°
• β: 97.496 ± 0.006°
• γ: 90°
• Cell volume: 2065.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No