Information card for entry 2233754

Structure parameters

• Chemical name: 1-(2-Hydroxyethyl)-1'-methyl-4'-(naphthalen-1-yl)-1'',2'',3'',4''-tetrahydrodispiro[indoline-3,2'-pyrrolidine-3',2''-naphthalene]-2,1''-dione
• Formula: C33 H30 N2 O3
• Calculated formula: C33 H30 N2 O3
• SMILES: N1(C[C@@H]([C@]2([C@]31c1ccccc1N(C3=O)CCO)C(=O)c1ccccc1CC2)c1cccc2ccccc12)C.N1(C[C@H]([C@@]2([C@@]31c1ccccc1N(C3=O)CCO)C(=O)c1ccccc1CC2)c1cccc2ccccc12)C
• Title of publication: 1-(2-Hydroxyethyl)-1'-methyl-4'-(naphthalen-1-yl)-1'',2'',3'',4''-tetrahydrodispiro[indoline-3,2'-pyrrolidine-3',2''-naphthalene]-2,1''-dione
• Authors of publication: Selvanayagam, S.; Sridhar, B.; Saravanan, P.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o800 - o801
• a: 12.0236 ± 0.0018 Å
• b: 14.054 ± 0.002 Å
• c: 15.95 ± 0.002 Å
• α: 90°
• β: 107.796 ± 0.002°
• γ: 90°
• Cell volume: 2566.3 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes