Information card for entry 7155745

Structure parameters

• Formula: C40 H26 F N O2
• Calculated formula: C40 H26 F N O2
• SMILES: c1ccccc1CN1c2ccccc2C2(C1=O)c1cc(ccc1c1c2c2c(cc3ccccc3c2o1)c1ccc(cc1)F)C
• Title of publication: Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles
• Authors of publication: Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 10.0836 ± 0.0007 Å
• b: 12.5395 ± 0.001 Å
• c: 13.2044 ± 0.001 Å
• α: 74.853 ± 0.002°
• β: 68.565 ± 0.002°
• γ: 71.764 ± 0.002°
• Cell volume: 1455.54 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1015
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No