Information card for entry 2237273

Structure parameters

• Chemical name: 5''-(4-Methoxybenzylidene)-1'-(4-methoxyphenyl)-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: C39 H38 N2 O4
• Calculated formula: C39 H38 N2 O4
• SMILES: CN1C[C@]2(C(=O)/C(=C/c3ccc(cc3)OC)C1)[C@@H]([C@H]1CCCCN1[C@@]12C(=O)c2c3c1cccc3ccc2)c1ccc(cc1)OC.CN1C[C@@]2(C(=O)/C(=C/c3ccc(cc3)OC)C1)[C@H]([C@@H]1CCCCN1[C@]12C(=O)c2c3c1cccc3ccc2)c1ccc(cc1)OC
• Title of publication: 5''-(4-Methoxybenzylidene)-1'-(4-methoxyphenyl)-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: 2
• Pages of publication: o256 - o257
• a: 8.379 ± 0.005 Å
• b: 16.958 ± 0.005 Å
• c: 22.063 ± 0.005 Å
• α: 90°
• β: 96.605 ± 0.005°
• γ: 90°
• Cell volume: 3114 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0947
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes