Information card for entry 7156756

Structure parameters

• Formula: C43 H31 N O6
• Calculated formula: C43 H31 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: 9.6947 ± 0.0008 Å
• b: 10.8845 ± 0.0008 Å
• c: 18.8025 ± 0.0014 Å
• α: 80.319 ± 0.002°
• β: 80.832 ± 0.002°
• γ: 72.455 ± 0.003°
• Cell volume: 1852.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No