Information card for entry 7156753

Structure parameters

• Formula: C42 H26 Cl3 N O6
• Calculated formula: C42 H26 Cl3 N O6
• Title of publication: Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.
• Authors of publication: Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 3978 - 3983
• a: 9.861 ± 0.008 Å
• b: 10.277 ± 0.008 Å
• c: 21.278 ± 0.015 Å
• α: 76.246 ± 0.02°
• β: 86.55 ± 0.02°
• γ: 85.28 ± 0.02°
• Cell volume: 2086 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.3149
• Residual factor for significantly intense reflections: 0.1476
• Weighted residual factors for significantly intense reflections: 0.3565
• Weighted residual factors for all reflections included in the refinement: 0.4562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No