Information card for entry 2213433

Structure parameters

• Chemical name: 1-[(E)-5-Ferrocenylvinyl-2-methylthien-3-yl]-2-(5-formyl-2-methylthien- 3-yl)cyclopentene
• Formula: C28 H26 Fe O S2
• Calculated formula: C28 H26 Fe O S2
• Title of publication: 1-[(<i>E</i>)-5-Ferrocenylvinyl-2-methylthien-3-yl]-2-(5-formyl-2-methylthien-3-yl)cyclopentene
• Authors of publication: Guan Jin-Tao; Yu, Guang-Ao; Yin, Jun; Meng, Xiang-Gao; Liu, Sheng-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1515 - m1516
• a: 25.665 ± 0.003 Å
• b: 7.8952 ± 0.0008 Å
• c: 12.1933 ± 0.0013 Å
• α: 90°
• β: 90.996 ± 0.002°
• γ: 90°
• Cell volume: 2470.4 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes