Information card for entry 1513160

Structure parameters

• Formula: C34 H34 N4 O13 S2
• Calculated formula: C34 H34 N4 O13 S2
• Title of publication: Cu-Catalyzed 1,2-Dihydroisoquinolines Synthesis fromo-Ethynyl Benzacetals and Sulfonyl Azides
• Authors of publication: Sun, Lang; Zhu, Yuanxun; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 5894
• a: 9.9318 ± 0.0007 Å
• b: 12.1574 ± 0.0009 Å
• c: 15.0926 ± 0.001 Å
• α: 90°
• β: 104.533 ± 0.007°
• γ: 90°
• Cell volume: 1764 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0896
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No