Information card for entry 4513897

Structure parameters

• Common name: 4'-(2,4-Dichlorophenyl)-1',3''-dimethyl-1''-phenyl-7'' ,8''-dihydrodispiro[indoline-3,2'-pyrrolidine-3', 6''-pyrazolo[3,4-b]quinoline]-2,5''(1''H)-dione
• Chemical name: 4'-(2,4-Dichlorophenyl)-1',3''-dimethyl-1''-phenyl-7'' ,8''-dihydrodispiro[indoline-3,2'-pyrrolidine-3', 6''-pyrazolo[3,4-b]quinoline]-2,5''(1''H)-dione
• Formula: C34 H27 Cl2 N5 O2
• Calculated formula: C34 H27 Cl2 N5 O2
• SMILES: c1(ccccc1)n1c2c(c(C)n1)cc1c(CC[C@]3(C1=O)[C@]1(C(=O)Nc4ccccc14)N(C)C[C@@H]3c1ccc(cc1Cl)Cl)n2.c1(ccccc1)n1c2c(c(C)n1)cc1c(CC[C@@]3(C1=O)[C@@]1(C(=O)Nc4ccccc14)N(C)C[C@H]3c1ccc(cc1Cl)Cl)n2
• Title of publication: Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles.
• Authors of publication: Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith
• Journal of publication: ACS combinatorial science
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 262 - 270
• a: 14.3841 ± 0.0009 Å
• b: 14.7846 ± 0.0008 Å
• c: 16.9692 ± 0.0011 Å
• α: 91.767 ± 0.011°
• β: 96.391 ± 0.014°
• γ: 92.148 ± 0.012°
• Cell volume: 3581.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1359
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2703
• Weighted residual factors for all reflections included in the refinement: 0.2947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No