Information card for entry 7160474

Structure parameters

• Formula: C53 H43 Cl2 N3 O4
• Calculated formula: C53 H43 Cl2 N3 O4
• Title of publication: Efficient construction of spirocyclopentane-1,3-dioxindoles <i>via</i> an annulation reaction of isocyanides and 3-methyleneoxindoles.
• Authors of publication: Huang, Li; Ma, Wei-Qing; Sun, Jing; Han, Ying; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 13
• Pages of publication: 3224 - 3230
• a: 10.9684 ± 0.0012 Å
• b: 13.8538 ± 0.0017 Å
• c: 31.828 ± 0.004 Å
• α: 90°
• β: 98.319 ± 0.003°
• γ: 90°
• Cell volume: 4785.5 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2355
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2238
• Weighted residual factors for all reflections included in the refinement: 0.2591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No