Information card for entry 2229771

Structure parameters

• Chemical name: 1',1''-Dimethyl-4'-(naphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene- 2-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-1,2''-dione
• Formula: C32 H28 N2 O2
• Calculated formula: C32 H28 N2 O2
• SMILES: O=C1N(c2ccccc2[C@@]21N(C[C@@H]([C@@]12CCc2ccccc2C1=O)c1c2ccccc2ccc1)C)C.O=C1N(c2ccccc2[C@]21N(C[C@H]([C@]12CCc2ccccc2C1=O)c1c2ccccc2ccc1)C)C
• Title of publication: 1',1''-Dimethyl-4'-(naphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene-2-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-1,2''-dione
• Authors of publication: Selvanayagam, S.; Ravikumar, K.; Saravanan, P.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o751
• a: 8.7529 ± 0.0008 Å
• b: 18.0411 ± 0.0016 Å
• c: 15.4489 ± 0.0013 Å
• α: 90°
• β: 98.181 ± 0.002°
• γ: 90°
• Cell volume: 2414.7 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes