Information card for entry 4023307

Structure parameters

• Formula: C16 H10 Fe O2 S
• Calculated formula: C16 H10 Fe O2 S
• Title of publication: Unusual Condensation of 3-Thia[5](1,1')ferrocenophane-1,5-dione with Glyoxal. Formation of [1.1](2,3)Thiopheno(1,1')ferrocenophane-1,7-dione
• Authors of publication: Yuji Miyahara; Emi Nishimura; Takashi Sugimura
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 1783 - 1786
• a: 11.64 ± 0.002 Å
• b: 7.716 ± 0.002 Å
• c: 14.946 ± 0.001 Å
• α: 90°
• β: 106.117 ± 0.009°
• γ: 90°
• Cell volume: 1289.5 ± 0.3 ų
• Cell temperature: 293.2 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 significantly intense reflections: 0.0285
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No