Information card for entry 4022928

Structure parameters

• Formula: C34 H24 N2 O6
• Calculated formula: C34 H24 N2 O6
• SMILES: O1COc2c1cc1c(n(c(C(=O)C(=O)c3n(c4c(cc5c(OCO5)c4)c3)Cc3ccccc3)c1)Cc1ccccc1)c2
• Title of publication: SmI~2~-Promoted Radical Addition Reactions with N-(2-Indolylacyl)oxazolidinones: Synthesis of Bisindole Compounds
• Authors of publication: Karl B. Lindsay; Francesc Ferrando; Kasper L. Christensen; Jacob Overgaard; Tomàs Roca; M.-Lluïsa Bennasar; Troels Skrydstrup
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 4181 - 4188
• a: 13.717 ± 0.002 Å
• b: 5.1567 ± 0.0009 Å
• c: 18.788 ± 0.003 Å
• α: 90°
• β: 104.187 ± 0.006°
• γ: 90°
• Cell volume: 1288.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No