Information card for entry 2237186

Structure parameters

• Chemical name: <i>rac</i>-5''-(4-Fluorobenzylidene)-1'-(4-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: O=C1[C@]2(CN(CC\1=C/c1ccc(F)cc1)C)[C@]1(N3[C@@H]([C@H]2c2ccc(F)cc2)CCCC3)C(=O)c2c3c1cccc3ccc2.O=C1[C@@]2(CN(CC\1=C/c1ccc(F)cc1)C)[C@@]1(N3[C@H]([C@@H]2c2ccc(F)cc2)CCCC3)C(=O)c2c3c1cccc3ccc2
• Title of publication: <i>rac</i>-5''-(4-Fluorobenzylidene)-1'-(4-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: Suresh, J.; Nagalakshmi, R. A.; 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: 1
• Pages of publication: o140 - o141
• a: 10.2716 ± 0.0004 Å
• b: 20.0353 ± 0.0007 Å
• c: 14.379 ± 0.0006 Å
• α: 90°
• β: 97.047 ± 0.001°
• γ: 90°
• Cell volume: 2936.8 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes