Information card for entry 7151962

Structure parameters

• Formula: C25 H27 Br N2 O
• Calculated formula: C25 H27 Br N2 O
• 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: 8.197 ± 0.002 Å
• b: 22.507 ± 0.006 Å
• c: 12.208 ± 0.003 Å
• α: 90°
• β: 101.368 ± 0.004°
• γ: 90°
• Cell volume: 2208.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No