Information card for entry 7151965

Structure parameters

• Formula: C24 H23 N3 O4
• Calculated formula: C24 H23 N3 O4
• SMILES: O=C1N2[C@@H](CCC2)C(=O)N2[C@H]1C[C@]1([C@@H]2c2ccccc2)C(=O)Nc2c1ccc(OC)c2
• Title of publication: Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.
• Authors of publication: Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 14
• Pages of publication: 5104 - 5108
• a: 9.903 ± 0.0013 Å
• b: 10.8311 ± 0.0014 Å
• c: 19.231 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2062.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No