Information card for entry 2237274

Structure parameters

• Chemical name: Methyl 4'-(4-fluorophenyl)-1'-methyl-3'-nitromethyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate
• Formula: C21 H20 F N3 O5
• Calculated formula: C21 H20 F N3 O5
• SMILES: c1cccc2c1[C@]1(C(=O)N2)[C@]([C@H](CN1C)c1ccc(cc1)F)(CN(=O)=O)C(=O)OC.c1cccc2c1[C@@]1(C(=O)N2)[C@@]([C@@H](CN1C)c1ccc(cc1)F)(CN(=O)=O)C(=O)OC
• Title of publication: Methyl 4'-(4-fluorophenyl)-1'-methyl-3'-nitromethyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate
• Authors of publication: Revathi, B. K.; Sathya, S.; Usha, G.; Murugan, G.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o278
• a: 8.0265 ± 0.0005 Å
• b: 25.7011 ± 0.0015 Å
• c: 9.7763 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2016.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes