Information card for entry 7135696

Structure parameters

• Formula: C35 H29 Fe2 N O2
• Calculated formula: C35 H29 Fe2 N O2
• Title of publication: Synthesis of planar chiral biferrocenes by iridium-catalyzed [2+2+2] cycloaddition of biferrocene-linked diynes with nitriles: asymmetric desymmetrization and kinetic resolution.
• Authors of publication: Sawano, Takahiro; Murata, Kayo; Suzaki, Tomoaki; Urasawa, Kazuki; Kobayashi, Manami; Aso, Ryota; Ozasa, Kazuki; Ishikawa, Eri; Takeuchi, Ryo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 33
• Pages of publication: 8451 - 8455
• a: 7.3633 ± 0.0002 Å
• b: 13.9055 ± 0.0004 Å
• c: 13.1255 ± 0.0003 Å
• α: 90°
• β: 92.815 ± 0.002°
• γ: 90°
• Cell volume: 1342.3 ± 0.06 ų
• Cell temperature: 100 ± 0.14 K
• Ambient diffraction temperature: 100 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No