Information card for entry 2229468

Structure parameters

• Chemical name: 1'-Methyl-4'-(1-naphthyl)-1'',2'',3'',4''-tetrahydroindane-2-spiro-2'- pyrrolidine-3'-spiro-2''-naphthalene-1,3,1''-trione
• Formula: C32 H25 N O3
• Calculated formula: C32 H25 N O3
• SMILES: O=C1C2(N(C[C@H]([C@]32CCc2ccccc2C3=O)c2c3ccccc3ccc2)C)C(=O)c2c1cccc2
• Title of publication: 1'-Methyl-4'-(1-naphthyl)-1'',2'',3'',4''-tetrahydroindane-2-spiro-2'-pyrrolidine-3'-spiro-2''-naphthalene-1,3,1''-trione
• Authors of publication: Selvanayagam, S.; Sridhar, B.; Ravikumar, K.; Saravanan, P.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o629
• a: 10.8442 ± 0.0009 Å
• b: 11.431 ± 0.001 Å
• c: 19.2701 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2388.7 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes