Information card for entry 4128183

Structure parameters

• Formula: C36 H32 Br2 N2
• Calculated formula: C36 H32 Br2 N2
• Title of publication: Cu(I)-Catalyzed 6- endo-dig Cyclization of Terminal Alkynes, 2-Bromoaryl Ketones, and Amides toward 1-Naphthylamines: Applications and Photophysical Properties.
• Authors of publication: Su, Lebin; Ren, Tianbing; Dong, Jianyu; Liu, Lixin; Xie, Shimin; Yuan, Lin; Zhou, Yongbo; Yin, Shuang-Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2535 - 2544
• a: 35.627 ± 0.002 Å
• b: 9.1472 ± 0.0007 Å
• c: 9.3099 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3034 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.168
• Residual factor for significantly intense reflections: 0.1479
• Weighted residual factors for significantly intense reflections: 0.2911
• Weighted residual factors for all reflections included in the refinement: 0.2998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No