Information card for entry 2230816

Structure parameters

• Chemical name: 1''-Benzyl-1'-methyl-4'-(naphthalen-1-yl)naphthalene-2-spiro-3'-pyrrolidine- 2'-spiro-3''-indoline-1,2''-dione
• Formula: C38 H32 N2 O2
• Calculated formula: C38 H32 N2 O2
• SMILES: O=C1N(c2ccccc2[C@@]21N(C[C@@H]([C@@]12CCc2ccccc2C1=O)c1c2ccccc2ccc1)C)Cc1ccccc1.O=C1N(c2ccccc2[C@]21N(C[C@H]([C@]12CCc2ccccc2C1=O)c1c2ccccc2ccc1)C)Cc1ccccc1
• Title of publication: 1''-Benzyl-1'-methyl-4'-(naphthalen-1-yl)naphthalene-2-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-1,2''-dione
• Authors of publication: Selvanayagam, S.; Sridhar, B.; Saravanan, P.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1678 - o1679
• a: 12.6084 ± 0.0006 Å
• b: 14.3751 ± 0.0007 Å
• c: 17.4021 ± 0.0009 Å
• α: 90°
• β: 110.057 ± 0.001°
• γ: 90°
• Cell volume: 2962.8 ± 0.3 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: 0.0992
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes