Information card for entry 2211316

Structure parameters

• Chemical name: 1'-Methyl-4'-phenylindan-2-spiro-2'-pyrrolidine-3'-spiro-1''-cyclooctane- 1,3,2''-trione
• Formula: C26 H27 N O3
• Calculated formula: C26 H27 N O3
• SMILES: N1(C2([C@]3([C@H](C1)c1ccccc1)CCCCCCC3=O)C(=O)c1ccccc1C2=O)C.N1(C2([C@@]3([C@@H](C1)c1ccccc1)CCCCCCC3=O)C(=O)c1ccccc1C2=O)C
• Title of publication: 1'-Methyl-4'-phenylindan-2-spiro-2'-pyrrolidine-3'-spiro-1''-cyclooctane-1,3,2''-trione
• Authors of publication: S. Selvanayagam; M. N. Devi; D. Velmurugan; K. Ravikumar; M. Poornachandran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5551 - o5553
• a: 14.3552 ± 0.0008 Å
• b: 9.9061 ± 0.0006 Å
• c: 15.9692 ± 0.0009 Å
• α: 90°
• β: 113.7 ± 0.001°
• γ: 90°
• Cell volume: 2079.4 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes