Information card for entry 2238438

Structure parameters

• Chemical name: 5''-(2-Fluorobenzylidene)-1'-(2-fluorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1<i>H</i>)-dione
• Formula: C37 H32 F2 N2 O2
• Calculated formula: C37 H32 F2 N2 O2
• SMILES: CN1C/C(=C\c2ccccc2F)C(=O)[C@]2(C1)[C@@H](c1ccccc1F)[C@H]1N([C@@]32c2cccc4c2c(C3=O)ccc4)CCCC1.CN1C/C(=C\c2ccccc2F)C(=O)[C@@]2(C1)[C@H](c1ccccc1F)[C@@H]1N([C@]32c2cccc4c2c(C3=O)ccc4)CCCC1
• Title of publication: 5''-(2-Fluorobenzylidene)-1'-(2-fluorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1<i>H</i>)-dione
• Authors of publication: Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1291 - o1292
• a: 8.5161 ± 0.0003 Å
• b: 16.8176 ± 0.0006 Å
• c: 20.5195 ± 0.0006 Å
• α: 90°
• β: 99.845 ± 0.002°
• γ: 90°
• Cell volume: 2895.53 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes