Information card for entry 7151361

Structure parameters

• Formula: C18 H16 Fe
• Calculated formula: C18 H16 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: 7.316 ± 0.005 Å
• b: 11.656 ± 0.008 Å
• c: 17.244 ± 0.017 Å
• α: 75.28 ± 0.07°
• β: 80.66 ± 0.07°
• γ: 76.67 ± 0.05°
• Cell volume: 1375 ± 2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections: 0.1733
• Weighted residual factors for significantly intense reflections: 0.1522
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No