Information card for entry 2232960

Structure parameters

• Chemical name: 5''-(4-Methoxybenzylidene)-7'-(4-methoxyphenyl)-1''-methyl-5',6',7',7a'- tetrahydrodispiro[acenaphthene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole- 6',3''-piperidine]-2,4''-dione
• Formula: C37 H34 N2 O4 S
• Calculated formula: C37 H34 N2 O4 S
• SMILES: CN1C/C(=C\c2ccc(cc2)OC)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@]12C(=O)c2cccc3c2c1ccc3)c1ccc(cc1)OC.CN1C/C(=C\c2ccc(cc2)OC)C(=O)[C@@]2(C1)[C@@H]([C@H]1CSCN1[C@@]12C(=O)c2cccc3c2c1ccc3)c1ccc(cc1)OC
• Title of publication: 5''-(4-Methoxybenzylidene)-7'-(4-methoxyphenyl)-1''-methyl-5',6',7',7a'-tetrahydrodispiro[acenaphthene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''-piperidine]-2,4''-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: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3210
• a: 14.6229 ± 0.0006 Å
• b: 15.8759 ± 0.0006 Å
• c: 15.0284 ± 0.0005 Å
• α: 90°
• β: 115.907 ± 0.002°
• γ: 90°
• Cell volume: 3138.3 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes