Information card for entry 7240582

Structure parameters

• Formula: C18 H12 Br N5 O2
• Calculated formula: C18 H12 Br N5 O2
• Title of publication: A novel substrate directed multicomponent reaction for the syntheses of tetrahydro-spiro[pyrazolo[4,3-f]quinoline]-8,5′-pyrimidines and tetrahydro-pyrazolo[4,3-f]pyrimido[4,5-b]quinolines via selective multiple C‒C bond formation under metal-free conditions
• Authors of publication: Patel, Divyang M.; Patel, Hetal J.; Padrón, José M.; Patel, Hitendra M.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 33
• Pages of publication: 19600 - 19609
• a: 10.1063 ± 0.0013 Å
• b: 10.6214 ± 0.0012 Å
• c: 12.8286 ± 0.0016 Å
• α: 94.851 ± 0.004°
• β: 97.256 ± 0.004°
• γ: 111.253 ± 0.003°
• Cell volume: 1260.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No