Information card for entry 7032903

Structure parameters

• Formula: C22 H13 Fe N O5
• Calculated formula: C22 H13 Fe N O5
• SMILES: [Fe]1([CH](C(=O)c2cc3ccccc3cc2)=[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: 10.5432 ± 0.0004 Å
• b: 15.2269 ± 0.0005 Å
• c: 12.0419 ± 0.0004 Å
• α: 90°
• β: 91.721 ± 0.001°
• γ: 90°
• Cell volume: 1932.34 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No