Information card for entry 2236665

Structure parameters

• Chemical name: 5''-(2,4-Dichlorobenzylidene)-1'-(2,4-dichlorophenyl)-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 H30 Cl4 N2 O2
• Calculated formula: C37 H30 Cl4 N2 O2
• SMILES: CN1C/C(=C\c2ccc(cc2Cl)Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@]12C(=O)c2c3c1cccc3ccc2)c1ccc(cc1Cl)Cl.CN1C/C(=C\c2ccc(cc2Cl)Cl)C(=O)[C@@]2(C1)[C@@H]([C@H]1CCCCN1[C@@]12C(=O)c2c3c1cccc3ccc2)c1ccc(cc1Cl)Cl
• Title of publication: 5''-(2,4-Dichlorobenzylidene)-1'-(2,4-dichlorophenyl)-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.; Vishnupriya, R.; 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: 10
• Pages of publication: o2906
• a: 8.5695 ± 0.0002 Å
• b: 16.1634 ± 0.0005 Å
• c: 23.8325 ± 0.0007 Å
• α: 90°
• β: 92.399 ± 0.002°
• γ: 90°
• Cell volume: 3298.2 ± 0.16 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: 0.0563
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes