Information card for entry 7155744

Structure parameters

• Formula: C40 H25 Cl2 N O2
• Calculated formula: C40 H25 Cl2 N O2
• SMILES: c1ccccc1CN1C(=O)C2(c3cc(ccc13)Cl)c1c(c3ccc(cc3)Cl)oc3c4c(cc(c5c2cc(C)cc5)c13)cccc4
• 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: 10.5661 ± 0.0018 Å
• b: 13.057 ± 0.002 Å
• c: 13.553 ± 0.002 Å
• α: 65.881 ± 0.005°
• β: 81.281 ± 0.005°
• γ: 75.729 ± 0.005°
• Cell volume: 1651.2 ± 0.5 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: 0.0791
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No