Information card for entry 7151362

Structure parameters

• Formula: C19 H18 Fe
• Calculated formula: C19 H18 Fe
• Title of publication: Ring-strain effects on the oxidation potential of enediynes and enediyne complexes
• Authors of publication: Baldridge, Kim K.; Donovan-Merkert, Bernadette T.; O'Connor, Joseph M.; Lee, Linda I.; Closson, Adam; Fandrick, Daniel; Tran, Tuan; Bunker, Kevin D.; Fouzi, Mouffouk; Gantzel, Peter
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 5
• Pages of publication: 763
• a: 10.055 ± 0.007 Å
• b: 11.047 ± 0.006 Å
• c: 14.409 ± 0.008 Å
• α: 107.38 ± 0.04°
• β: 91.75 ± 0.05°
• γ: 103.08 ± 0.05°
• Cell volume: 1479.5 ± 1.6 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No