Information card for entry 7032904

Structure parameters

• Formula: C24 H15 Fe N O4
• Calculated formula: C24 H15 Fe N O4
• SMILES: [Fe]123(C(=O)[C]1(=[CH]2C3c1ncccc1)c1ccc(cc1)c1ccccc1)(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: 9.1323 ± 0.0006 Å
• b: 10.4497 ± 0.0007 Å
• c: 11.6044 ± 0.0008 Å
• α: 87.7 ± 0.001°
• β: 82.514 ± 0.001°
• γ: 69.343 ± 0.001°
• Cell volume: 1027.36 ± 0.12 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: 0.0414
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No