Information card for entry 4305927

Structure parameters

• Formula: C12 H10 Cl N3 O4
• Calculated formula: C12 H10 Cl N3 O4.018
• Title of publication: CuII-Mediated Synthesis of a New Fluorescent Pyrido[1,2-a]quinoxalin-11-ium Derivative
• Authors of publication: Rik Rani Koner; Manabendra Ray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9122 - 9124
• a: 6.3291 ± 0.0001 Å
• b: 12.9283 ± 0.0003 Å
• c: 15.4054 ± 0.0004 Å
• α: 90°
• β: 100.091 ± 0.001°
• γ: 90°
• Cell volume: 1241.04 ± 0.05 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0935
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No