Information card for entry 1553117

Structure parameters

• Formula: C19 H21 N O3
• Calculated formula: C19 H21 N O3
• Title of publication: 1,3-Dipolar cycloaddition reactions of phthalic anhydrides with an azomethine ylide
• Authors of publication: Santos, Hugo; Distiller, Amy; D'Souza, Asha M.; Arnoux, Quentin; White, Jonathan M.; Meyer, Adam G.; Ryan, John H.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 705
• a: 7.2941 ± 0.0002 Å
• b: 13.2249 ± 0.0003 Å
• c: 17.2264 ± 0.0004 Å
• α: 90°
• β: 96.919 ± 0.002°
• γ: 90°
• Cell volume: 1649.62 ± 0.07 ų
• Cell temperature: 130 ± 0.2 K
• Ambient diffraction temperature: 130 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No