Information card for entry 4022927

Structure parameters

• Formula: C38 H29 Cl2 N3 O8
• Calculated formula: C38 H29 Cl2 N3 O8
• SMILES: C(Cl)Cl.C(c1ccccc1)n1c2c(cc3c(c2)OCO3)cc1C(=O)c1c2cc3c(cc2n(c1C(=O)N1C(=O)OCC1)Cc1ccccc1)OCO3
• 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: 10.6371 ± 0.0013 Å
• b: 10.8663 ± 0.0013 Å
• c: 15.4189 ± 0.0018 Å
• α: 82.063 ± 0.006°
• β: 72.625 ± 0.006°
• γ: 72.781 ± 0.006°
• Cell volume: 1622.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No