Information card for entry 2237048

Structure parameters

• Chemical name: 5''-(4-Chlorobenzylidene)-1'-(4-chlorophenyl)-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 Cl2 N2 O2
• Calculated formula: C37 H32 Cl2 N2 O2
• SMILES: Clc1ccc([C@@H]2[C@]3([C@]4(N5[C@H]2CCCC5)c2c5c(ccc2)cccc5C4=O)C(=O)/C(=C/c2ccc(Cl)cc2)CN(C3)C)cc1.Clc1ccc([C@H]2[C@@]3([C@@]4(N5[C@@H]2CCCC5)c2c5c(ccc2)cccc5C4=O)C(=O)/C(=C/c2ccc(Cl)cc2)CN(C3)C)cc1
• Title of publication: 5''-(4-Chlorobenzylidene)-1'-(4-chlorophenyl)-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.; Kumar, R. Ranjith; Sivakumar, S.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3315 - o3316
• a: 14.1346 ± 0.0005 Å
• b: 15.2184 ± 0.0006 Å
• c: 14.5603 ± 0.0006 Å
• α: 90°
• β: 102.337 ± 0.001°
• γ: 90°
• Cell volume: 3059.7 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes