Information card for entry 3000199

Structure parameters

• Formula: C23 H20 Fe O
• Title of publication: Trapping <i>para</i>-Quinone Methide Intermediates with Ferrocene: Synthesis and Preliminary Biological Evaluation of New Phenol-Ferrocene Conjugates
• Authors of publication: Silvia González-Pelayo; Enol López H.; Javier Borge; Noemí de-los-Santos-Álvarez; Luis A. López
• Journal of publication: To be published in Molecules
• a: 15.662 ± 0.0012 Å
• b: 6.0219 ± 0.0003 Å
• c: 18.7859 ± 0.0011 Å
• α: 90°
• β: 96.99 ± 0.006°
• γ: 90°
• Cell volume: 1758.62 ± 0.19 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2466
• Weighted residual factors for all reflections included in the refinement: 0.2554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No