Information card for entry 2235580

Structure parameters

• Chemical name: 1'-Butyl-2-methyl-1',2,2',3,4,9-hexahydrospiro[benzo[<i>f</i>]isoindole- 1,3'-indole]-2',4,9-trione
• Formula: C24 H22 N2 O3
• Calculated formula: C24 H22 N2 O3
• SMILES: c1cccc2c1C1(C(=O)N2CCCC)C2=C(CN1C)C(=O)c1ccccc1C2=O
• Title of publication: 1'-Butyl-2-methyl-1',2,2',3,4,9-hexahydrospiro[benzo[<i>f</i>]isoindole-1,3'-indole]-2',4,9-trione
• Authors of publication: Jagadeesan, G.; Sethusankar, K.; Bhaskar, G.; Perumal, P. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2140
• a: 21.5855 ± 0.0012 Å
• b: 15.7999 ± 0.0007 Å
• c: 14.7469 ± 0.0007 Å
• α: 90°
• β: 127.207 ± 0.003°
• γ: 90°
• Cell volume: 4005.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes