Information card for entry 2229886

Structure parameters

• Chemical name: 5''-(4-Chlorobenzylidene)-4'-(4-chlorophenyl)-5-fluoro-1',1''-dimethylindoline- 3-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2,4''-dione
• Formula: C30 H26 Cl2 F N3 O2
• Calculated formula: C30 H26 Cl2 F N3 O2
• SMILES: Clc1ccc(cc1)/C=C/1CN(C[C@]2(C1=O)[C@H](c1ccc(Cl)cc1)CN([C@]12c2c(NC1=O)ccc(F)c2)C)C.Clc1ccc(cc1)/C=C/1CN(C[C@@]2(C1=O)[C@@H](c1ccc(Cl)cc1)CN([C@@]12c2c(NC1=O)ccc(F)c2)C)C
• Title of publication: 5''-(4-Chlorobenzylidene)-4'-(4-chlorophenyl)-5-fluoro-1',1''-dimethylindoline-3-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2,4''-dione
• Authors of publication: Sundar, J. Kalyana; Bala, B. Devi; Natarajan, S.; Suresh, J.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o801 - o802
• a: 16.694 ± 0.003 Å
• b: 8.705 ± 0.004 Å
• c: 18.474 ± 0.003 Å
• α: 90°
• β: 103.27 ± 0.04°
• γ: 90°
• Cell volume: 2613 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0774
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes