Information card for entry 7061475

Structure parameters

• Formula: C54 H40 F2 N10 O4
• Calculated formula: C54 H40 F2 N10 O4
• Title of publication: Design and synthesis of spirooxindole–pyrrolidines embedded with indole and pyridine heterocycles by multicomponent reaction: anticancer and in silico studies
• Authors of publication: Mayakrishnan, Sivakalai; Kathirvelan, Devarajan; Arun, Yuvaraj; Saranraj, Krishnan; Balachandran, Chandrasekaran; Aoki, Shin; Yuvaraj, Pannerselvam; Maheswarai, Narayanan Uma
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 10089 - 10106
• a: 16.4758 ± 0.001 Å
• b: 11.0289 ± 0.0008 Å
• c: 24.904 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4525.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No