Information card for entry 7154379

Structure parameters

• Formula: C26 H19 N
• Calculated formula: C26 H19 N
• SMILES: n1c([C@]2([C@H](c3ccccc3)C2)C#Cc2ccccc2)ccc2c1cccc2.n1c([C@@]2([C@@H](c3ccccc3)C2)C#Cc2ccccc2)ccc2c1cccc2
• Title of publication: Au-catalyzed ring-opening reactions of 2-(1-alkynyl-cyclopropyl)pyridines with nucleophiles.
• Authors of publication: Liu, Ren-Rong; Ye, Shi-Chun; Lu, Chuan-Jun; Xiang, Bin; Gao, Jianrong; Jia, Yi-Xia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4855 - 4858
• a: 9.2763 ± 0.0002 Å
• b: 10.2244 ± 0.0003 Å
• c: 19.9092 ± 0.0005 Å
• α: 90°
• β: 94.243 ± 0.002°
• γ: 90°
• Cell volume: 1883.1 ± 0.08 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 3
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No