Information card for entry 7240581

Structure parameters

• Formula: C27 H21 Cl2 N5 O3
• Calculated formula: C27 H21 Cl2 N5 O3
• 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: 9.6991 ± 0.0004 Å
• b: 15.1736 ± 0.0007 Å
• c: 18.5825 ± 0.0009 Å
• α: 90°
• β: 101.75 ± 0.002°
• γ: 90°
• Cell volume: 2677.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1904
• Residual factor for significantly intense reflections: 0.1802
• Weighted residual factors for significantly intense reflections: 0.5419
• Weighted residual factors for all reflections included in the refinement: 0.5603
• Goodness-of-fit parameter for all reflections included in the refinement: 2.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No