Information card for entry 7223905

Structure parameters

• Chemical name: 1'-((1-(7-chloroquinolin-4-yl)-1H-1,2,3-triazol-4-yl)methyl)-6b,7,8,9-tetrahydro-6H-spiro[chromeno[3,4-a]pyrrolizine-11,3'-indoline]-2',6(6aH,11aH)-dione (5e)
• Formula: C34 H27 Cl3 N6 O3
• Calculated formula: C34 H27 Cl3 N6 O3
• SMILES: C(Cl)Cl.Clc1cc2c(cc1)c(n1nnc(CN3C(=O)[C@]4(N5[C@@H]([C@@H]6[C@H]4c4c(OC6=O)cccc4)CCC5)c4ccccc34)c1)ccn2.C(Cl)Cl.Clc1cc2c(cc1)c(n1nnc(CN3C(=O)[C@@]4(N5[C@H]([C@H]6[C@@H]4c4c(OC6=O)cccc4)CCC5)c4ccccc34)c1)ccn2
• Title of publication: One-pot four component domino strategy for the synthesis of novel spirooxindole pyrrolizine linked 1,2,3-triazoles via stereo- and regioselective [3+2] cycloaddition reaction in acidic Medium.
• Authors of publication: M, Rajeswari; ghalawat, Sudesh kumari; Khurana, Jitender
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 17.3297 ± 0.0008 Å
• b: 9.121 ± 0.0006 Å
• c: 20.287 ± 0.001 Å
• α: 90°
• β: 92.608 ± 0.004°
• γ: 90°
• Cell volume: 3203.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1793
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.2792
• Weighted residual factors for all reflections included in the refinement: 0.331
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No