Information card for entry 2212103

Structure parameters

• Chemical name: 3-(4-Methoxyphenyl)-1',6,6-trimethyl-4,5,6,7-tetrahydrospiro[1-benzofuran- 2,3'(3H,2'H)-1H-indole]-2',4-dione
• Formula: C24 H22 Cl N O3
• Calculated formula: C24 H22 Cl N O3
• SMILES: [C@]12([C@H](C3=C(CC(CC3=O)(C)C)O2)c2ccc(cc2)Cl)C(=O)N(c2ccccc12)C.[C@@]12([C@@H](C3=C(CC(CC3=O)(C)C)O2)c2ccc(cc2)Cl)C(=O)N(c2ccccc12)C
• Title of publication: 3-(4-Methoxyphenyl)-1',6,6-trimethyl-4,5,6,7-tetrahydrospiro[1-benzofuran-2,3'(3<i>H</i>,2'<i>H</i>)-1<i>H</i>-indole]-2',4-dione
• Authors of publication: D. Gayathri; D. Velmurugan; K. Ravikumar; G. Savitha; P. T. Perumal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1034 - o1036
• a: 13.9638 ± 0.0008 Å
• b: 13.849 ± 0.0008 Å
• c: 22.1754 ± 0.0013 Å
• α: 90°
• β: 100.851 ± 0.001°
• γ: 90°
• Cell volume: 4211.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes