Information card for entry 7108332

Structure parameters

• Formula: C17 H23 N O4 S
• Calculated formula: C17 H23 N O4 S
• Title of publication: Rhodium-catalysed isomerisation/formal 1,3-dipolar cycloaddition cascades to fused-ring heterocycles
• Authors of publication: Ryan M. Gorman; Marc A. Little; James A. Morris; Visuvanathar Sridharan
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9537
• a: 12.491 ± 0.002 Å
• b: 9.1019 ± 0.0017 Å
• c: 30.464 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3463.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1581
• 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: Yes
• Has Fobs: No