Information card for entry 7220073

Structure parameters

• Chemical name: spirooxindole pyrrolidine
• Formula: C35 H25 Cl F N5 O3
• Calculated formula: C35 H25 Cl F N5 O3
• SMILES: Clc1ccc([C@@H]2C3(C(=O)c4c(C3=O)cccc4)[C@@]3(N(C)C2)c2ccccc2N(Cc2cn(c4ccc(F)cc4)nn2)C3=O)cc1.Clc1ccc([C@H]2C3(C(=O)c4c(C3=O)cccc4)[C@]3(N(C)C2)c2ccccc2N(Cc2cn(c4ccc(F)cc4)nn2)C3=O)cc1
• Title of publication: An efficient, green synthesis of novel regioselective and stereoselective indan-1,3-diones grafted spirooxindolopyrrolizidines linked 1,2,3-triazoles via one-pot five-component using PEG-400
• Authors of publication: M, Rajeswari; Sindhu, Jayant; Singh, Harjinder; Khurana, Jitender
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 29.102 ± 0.006 Å
• b: 8.9545 ± 0.0011 Å
• c: 23.517 ± 0.004 Å
• α: 90°
• β: 107.38 ± 0.02°
• γ: 90°
• Cell volume: 5848.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.2272
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No