Information card for entry 7032902

Structure parameters

• Formula: C18 H11 Fe N O5
• Calculated formula: C18 H11 Fe N O5
• SMILES: [Fe]1([CH](C(=O)c2ccccc2)=[CH]1c1ncccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: An expedient approach to synthesize fluorescent 3-substituted 4H-quinolizin-4-ones via (η(4)-vinylketene)-Fe(CO)3 complexes.
• Authors of publication: Rosas-Sánchez, Alfredo; Toscano, Rubén A; López-Cortés, José G; Ortega-Alfaro, M Carmen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 578 - 590
• a: 7.1357 ± 0.0009 Å
• b: 10.0365 ± 0.0013 Å
• c: 12.659 ± 0.0016 Å
• α: 92.57 ± 0.002°
• β: 104.792 ± 0.002°
• γ: 105.483 ± 0.002°
• Cell volume: 838.51 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No