Information card for entry 2236668

Structure parameters

• Chemical name: 5''-Benzylidene-1''-methyl-1'-phenyl-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 H34 N2 O2
• Calculated formula: C37 H34 N2 O2
• SMILES: O=C1[C@@]2([C@@]3(N4[C@@H]([C@H]2c2ccccc2)CCCC4)c2cccc4c2c(C3=O)ccc4)CN(C/C1=C\c1ccccc1)C.O=C1[C@]2([C@]3(N4[C@H]([C@@H]2c2ccccc2)CCCC4)c2cccc4c2c(C3=O)ccc4)CN(C/C1=C\c1ccccc1)C
• Title of publication: 5''-Benzylidene-1''-methyl-1'-phenyl-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: 10
• Pages of publication: o2981
• a: 8.4913 ± 0.0003 Å
• b: 16.6782 ± 0.0006 Å
• c: 20.5435 ± 0.0007 Å
• α: 90°
• β: 100.028 ± 0.002°
• γ: 90°
• Cell volume: 2864.92 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes