Information card for entry 7061476

Structure parameters

• Formula: C30 H27 N5 O3 S2
• Calculated formula: C30 H27 N5 O3 S2
• 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: 15.6743 ± 0.0008 Å
• b: 10.9532 ± 0.0006 Å
• c: 17.2489 ± 0.0008 Å
• α: 90°
• β: 104.833 ± 0.002°
• γ: 90°
• Cell volume: 2862.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No