Information card for entry 4513559

Structure parameters

• Chemical name: 6-(4-Bromophenyl)indolizino[3,2-c]quinoline
• Formula: C21 H13 Br N2
• Calculated formula: C21 H13 Br N2
• SMILES: Brc1ccc(c2nc3c(c4cc5n(c24)cccc5)cccc3)cc1
• Title of publication: When Indolizine Meets Quinoline: Diversity-Oriented Synthesis of New Polyheterocycles and Their Optical Properties.
• Authors of publication: Park, Sujin; Kwon, Dah In; Lee, Jeeyeon; Kim, Ikyon
• Journal of publication: ACS combinatorial science
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 459 - 469
• a: 4.1385 ± 0.0004 Å
• b: 17.8868 ± 0.0019 Å
• c: 20.726 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1534.2 ± 0.3 ų
• Cell temperature: 171 K
• Ambient diffraction temperature: 171 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.2494
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No