Information card for entry 7245975

Structure parameters

• Formula: C27 H19 F3 N2 O3
• Calculated formula: C27 H19 F3 N2 O3
• SMILES: c12ccccc1C(=O)C1(C2=O)[C@@H]([C@@H](C(F)(F)F)N[C@@]21c1ccccc1N(C2=O)C)c1ccccc1.c12ccccc1C(=O)C1(C2=O)[C@H]([C@H](C(F)(F)F)N[C@]21c1ccccc1N(C2=O)C)c1ccccc1
• Title of publication: DABCO-promoted highly diastereo- and regioselective construction of C-3 functionalized spirooxindoles via [3 + 2] cycloaddition of 2-aryl/heteroarylidene-1H-indene-1,3(2H)-diones with N-2,2,2-trifluoroethylisatin ketimines at ambient conditions
• Authors of publication: Prasad, Madavi S.; Bharani, Sankar; Sharief, Syed Mastan; Ravi, Mudavath; Sivaprakash, Murugesan; Borah, Biplob; Chowhan, L. Raju
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 54
• Pages of publication: 34941 - 34945
• a: 12.0771 ± 0.0004 Å
• b: 19.0403 ± 0.0007 Å
• c: 20.1521 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4634 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1421
• 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