Information card for entry 7124681

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: 38.327 ± 0.012 Å
• b: 12.158 ± 0.004 Å
• c: 9.715 ± 0.003 Å
• α: 90°
• β: 95.51 ± 0.006°
• γ: 90°
• Cell volume: 4506 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No