Information card for entry 2234065

Structure parameters

• Chemical name: 7'-(Naphthalen-1-yl)-5''-[(naphthalen-2-yl)methylidene]-1',3',5',6',7',7a'- hexahydrodispiro[acenaphthene-1,5'-pyrrolo[1,2-<i>c</i>]thiazole-6',3''- piperidine]-2(1<i>H</i>),4''-dione
• Formula: C43 H34 N2 O2 S
• Calculated formula: C43 H34 N2 O2 S
• SMILES: CN1C/C(=C\c2cccc3c2cccc3)C(=O)[C@@]2(C1)[C@@H]([C@H]1CSCN1[C@@]12C(=O)c2c3c1cccc3ccc2)c1cccc2c1cccc2.CN1C/C(=C\c2cccc3c2cccc3)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@]12C(=O)c2c3c1cccc3ccc2)c1cccc2c1cccc2
• Title of publication: 7'-(Naphthalen-1-yl)-5''-[(naphthalen-2-yl)methylidene]-1',3',5',6',7',7a'-hexahydrodispiro[acenaphthene-1,5'-pyrrolo[1,2-<i>c</i>]thiazole-6',3''-piperidine]-2(1<i>H</i>),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: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o858 - o859
• a: 15.8335 ± 0.0004 Å
• b: 9.2147 ± 0.0002 Å
• c: 23.9951 ± 0.0005 Å
• α: 90°
• β: 109.103 ± 0.001°
• γ: 90°
• Cell volume: 3308.12 ± 0.13 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: 0.0911
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes