Information card for entry 7124680

Structure parameters

• Formula: C26 H24 N2 O3
• Calculated formula: C26 H24 N2 O3
• Title of publication: Base-controlled [3+3] cycloaddition of isoquinoline N-oxides with azaoxyallyl cations.
• Authors of publication: An, Yuanyuan; Xia, Hongguang; Wu, Jie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 68
• Pages of publication: 10415 - 10418
• a: 9.1828 ± 0.0017 Å
• b: 9.0675 ± 0.0017 Å
• c: 26.107 ± 0.005 Å
• α: 90°
• β: 91.376 ± 0.003°
• γ: 90°
• Cell volume: 2173.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No