Information card for entry 7157823

Structure parameters

• Formula: C30 H25 N3 O
• Calculated formula: C30 H25 N3 O
• Title of publication: Silver-catalyzed tandem cycloisomerization/hydroarylation reactions and mechanistic investigations for an efficient access to 1,2-dihydroisoquinolines.
• Authors of publication: De Abreu, Maxime; Tang, Yue; Brachet, Etienne; Selkti, Mohamed; Michelet, Véronique; Belmont, Philippe
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1037 - 1046
• a: 9.9992 ± 0.0004 Å
• b: 10.1775 ± 0.0005 Å
• c: 12.6396 ± 0.0006 Å
• α: 69.319 ± 0.005°
• β: 80.319 ± 0.004°
• γ: 84.713 ± 0.004°
• Cell volume: 1185.52 ± 0.1 ų
• Cell temperature: 291.43 ± 0.1 K
• Ambient diffraction temperature: 291.43 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No