Information card for entry 7059872

Structure parameters

• Formula: C18 H17 N O2
• Calculated formula: C18 H17 N O2
• Title of publication: Cu-catalyzed cyclization to construct indoles from N-(ortho-chloromethyl)aryl carbamates and terminal alkynes via a one-pot reaction
• Authors of publication: Shi, Yang; Wang, Gangqiang; Wang, Hang; Deng, Bin; Gao, Tao; Wang, Jian; Guo, Haibing; Wu, Minghu; Sun, Shaofa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 14477 - 14480
• a: 9.7871 ± 0.0013 Å
• b: 28.773 ± 0.003 Å
• c: 10.9288 ± 0.0012 Å
• α: 90°
• β: 105.459 ± 0.011°
• γ: 90°
• Cell volume: 2966.3 ± 0.6 ų
• Cell temperature: 293.02 ± 0.1 K
• Ambient diffraction temperature: 293.02 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.3152
• Weighted residual factors for all reflections included in the refinement: 0.3292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No