Information card for entry 2212006

Structure parameters

• Chemical name: 3-(3-Methoxybenzoyl)-1',6,6-trimethyl-4,5,6,7- tetrahydrospiro[benzo[b]furan-2(3H),3'(2'H)-1H-indole]-4,2'-dione
• Formula: C26 H25 N O5
• Calculated formula: C26 H25 N O5
• SMILES: [C@@]12([C@@H](C3=C(CC(CC3=O)(C)C)O2)C(=O)c2cccc(c2)OC)C(=O)N(c2ccccc12)C.[C@]12([C@H](C3=C(CC(CC3=O)(C)C)O2)C(=O)c2cccc(c2)OC)C(=O)N(c2ccccc12)C
• Title of publication: 3-(3-Methoxybenzoyl)-1',6,6-trimethyl-4,5,6,7-tetrahydrospiro[benzo[<i>b</i>]furan-2(3<i>H</i>),3'(2'<i>H</i>)-1<i>H</i>-indole]-4,2'-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: o846 - o848
• a: 9.4557 ± 0.0008 Å
• b: 11.75 ± 0.001 Å
• c: 12.3946 ± 0.001 Å
• α: 116.168 ± 0.001°
• β: 93.005 ± 0.001°
• γ: 111.925 ± 0.001°
• Cell volume: 1106.9 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes