Information card for entry 4067288

Structure parameters

• Chemical name: Tricarbonyl-?4-[(Z)-3-hydroxy-2-(N-phenypivalamido)hexa-1,3-diene]iron(0)
• Formula: C19 H21 Fe N O5
• Calculated formula: C19 H21 Fe N O5
• SMILES: C[CH]1=[C]2([C]3(=[CH2][Fe]123(C#[O])(C#[O])C#[O])N(c1ccccc1)C(=O)C(C)(C)C)O
• Title of publication: Synthesis and Reactivity of η4-Diene-Fe(CO)3Complexes fromexo-2-Oxazolidinone Dienes. A Facile Generation of Stable Conjugated Enol-Enamido Species
• Authors of publication: Ortega-Jiménez, Fernando; Benavides, Adriana; Delgado, Francisco; Jiménez-Vázquez, Hugo A.; Tamariz, Joaquín
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 149
• a: 6.7712 ± 0.0001 Å
• b: 26.8224 ± 0.0007 Å
• c: 10.7305 ± 0.0002 Å
• α: 90°
• β: 95.76 ± 0.002°
• γ: 90°
• Cell volume: 1939.03 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No