Information card for entry 7224377

Structure parameters

• Formula: C H Br N O
• Calculated formula: C4 H2.5 Br0.25 N0.25 O0.25
• SMILES: Brc1c(/C=C(C(=O)c2ccccc2)\C#N)cccc1
• Title of publication: Copper-Catalyzed Synthesis of Quinoline Derivatives via Tandem Knoevenagel Condensation, Amination and Cyclization
• Authors of publication: Dhiman, Shiv; Saini, Hitesh K.; Nandwana, Nitesh k; Kumar, Dalip; Kumar, Anil
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.9523 ± 0.0011 Å
• b: 10.8955 ± 0.0015 Å
• c: 13.2918 ± 0.0018 Å
• α: 83.854 ± 0.01°
• β: 89.882 ± 0.009°
• γ: 89.928 ± 0.009°
• Cell volume: 1289 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.3393
• Residual factor for significantly intense reflections: 0.1522
• Weighted residual factors for significantly intense reflections: 0.2666
• Weighted residual factors for all reflections included in the refinement: 0.3295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.36
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No