Information card for entry 7151964

Structure parameters

• Formula: C50 H62 N4 O9
• Calculated formula: C50 H62 N4 O9
• 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: 13.7253 ± 0.0011 Å
• b: 10.4969 ± 0.0008 Å
• c: 16.7159 ± 0.0013 Å
• α: 90°
• β: 102.557 ± 0.002°
• γ: 90°
• Cell volume: 2350.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1423
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No