Information card for entry 3000485

Structure parameters

• Chemical name: 3?-oxo-1,3,3?,4?-tetrahydro-1?H-spiro[imidazo[1,2-a] quinoline-2,2?-quinoxalin]-10-ium bromide
• Formula: C21 H22 Br N5 O2
• Authors of publication: Aidar T. Gubaidullin
• Journal of publication: To be published in Russian Chemical Bulletin
• a: 9.1857 ± 0.0007 Å
• b: 9.778 ± 0.0008 Å
• c: 11.8397 ± 0.0009 Å
• α: 90.952 ± 0.003°
• β: 100.32 ± 0.002°
• γ: 97.127 ± 0.003°
• Cell volume: 1037.31 ± 0.14 ų
• Cell temperature: 111 ± 2 K
• Ambient diffraction temperature: 111 ± 2 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No