Information card for entry 2236722

Structure parameters

• Chemical name: 5-(4-Fluorobenzylidene)-4'-(4-fluorophenyl)-1,1'- dimethyldispiro[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione
• Formula: C30 H27 F2 N3 O2
• Calculated formula: C30 H27 F2 N3 O2
• SMILES: Fc1ccc(/C=C/2CN(C[C@@]3([C@@]4(N(C)C[C@@H]3c3ccc(F)cc3)C(=O)Nc3ccccc43)C2=O)C)cc1.Fc1ccc(/C=C/2CN(C[C@]3([C@]4(N(C)C[C@H]3c3ccc(F)cc3)C(=O)Nc3ccccc43)C2=O)C)cc1
• Title of publication: 5-(4-Fluorobenzylidene)-4'-(4-fluorophenyl)-1,1'-dimethyldispiro[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione
• Authors of publication: Swamy, V. Rajni; Ramaswamy, S.; Srinivasan, N.; Kumar, R. Ranjith; Krishnakumar, R.V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2839 - o2840
• a: 27.1839 ± 0.0015 Å
• b: 10.2809 ± 0.0005 Å
• c: 18.7045 ± 0.0011 Å
• α: 90°
• β: 107.92 ± 0.01°
• γ: 90°
• Cell volume: 4973.8 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes