Information card for entry 1571815

Structure parameters

• Formula: C25 H19 Br N6 O
• Calculated formula: C25 H19 Br N6 O
• Title of publication: Chiral π-Cu(ii)-catalyzed site-, <i>exo</i>/<i>endo</i>-, and enantioselective dearomative (3 + 2) cycloadditions of isoquinolinium ylides with enamides, dienamides, and a trienamide.
• Authors of publication: Guo, Weiwei; Huang, Jianhao; Ishihara, Kazuaki
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 28
• Pages of publication: 10926 - 10934
• a: 8.2893 ± 0.0003 Å
• b: 14.163 ± 0.0004 Å
• c: 10.0325 ± 0.0003 Å
• α: 90°
• β: 103.686 ± 0.003°
• γ: 90°
• Cell volume: 1144.39 ± 0.06 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No