Information card for entry 4514287

Structure parameters

• Chemical name: dimethyl 5-chloro-2-oxo-5',6',7',7a'tetrahydrospiro[indoline-3,3'-pyrrolizine]-1',2'-dicarboxylate
• Formula: C18 H17 Cl N2 O5
• Calculated formula: C18 H17 Cl N2 O5
• SMILES: c1c(ccc2c1[C@@]1(C(=O)N2)C(=C([C@H]2CCCN12)C(=O)OC)C(=O)OC)Cl.c1c(ccc2c1[C@]1(C(=O)N2)C(=C([C@@H]2CCCN12)C(=O)OC)C(=O)OC)Cl
• Title of publication: 1,3-Dipolar Cycloaddition Reactions for the Synthesis of Novel Oxindole Derivatives and Their Cytotoxic Properties.
• Authors of publication: Mali, Prakash R.; Shirsat, Prashishkumar K.; Khomane, Navnath; Nayak, Lakshama; Nanubolu, Jagadeesh Babu; Meshram, H. M.
• Journal of publication: ACS combinatorial science
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 633 - 639
• a: 9.06 ± 0.002 Å
• b: 10.055 ± 0.002 Å
• c: 10.287 ± 0.003 Å
• α: 81.458 ± 0.004°
• β: 72.948 ± 0.004°
• γ: 86.293 ± 0.004°
• Cell volume: 885.8 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No