Information card for entry 7239413

Structure parameters

• Formula: C17 H20 N2 O3
• Calculated formula: C17 H20 N2 O3
• Title of publication: Sequential one-pot three component rhodium-catalysed isomerisation/1,3-dipolar cycloaddition cascades to fused-ring heterocycles
• Authors of publication: Windle, Jonathan; Allison, Matthew; Shepherd, Helena; Sridharan, Visuvanathar
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 2624
• a: 12.5132 ± 0.0009 Å
• b: 9.0524 ± 0.0004 Å
• c: 14.4988 ± 0.001 Å
• α: 90°
• β: 111.345 ± 0.008°
• γ: 90°
• Cell volume: 1529.69 ± 0.19 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No