Information card for entry 7160475

Structure parameters

• Formula: C55 H47 F2 N3 O4
• Calculated formula: C55 H47 F2 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: 14.951 ± 0.003 Å
• b: 16.772 ± 0.003 Å
• c: 20.222 ± 0.004 Å
• α: 90°
• β: 93.259 ± 0.005°
• γ: 90°
• Cell volume: 5062.6 ± 1.7 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: 0.2767
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No