Information card for entry 7032905

Structure parameters

• Formula: C15 H11 N O
• Calculated formula: C15 H11 N O
• SMILES: O=c1c(ccc2n1cccc2)c1ccccc1
• 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: 15.2083 ± 0.0008 Å
• b: 6.545 ± 0.0003 Å
• c: 21.7516 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2165.12 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No