Information card for entry 7151697

Structure parameters

• Formula: C17 H19 Cl Cu N2 O
• Calculated formula: C17 H19 Cl Cu N2 O
• SMILES: [Cu]12([C](#[C]2C(C)(C)C)C=Cc2n1nc(c2)c1ccccc1)Cl.O
• Title of publication: A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines.
• Authors of publication: Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 670 - 672
• a: 9.3101 ± 0.0002 Å
• b: 9.2508 ± 0.0003 Å
• c: 11.242 ± 0.0004 Å
• α: 69.333 ± 0.001°
• β: 84.453 ± 0.001°
• γ: 76.764 ± 0.001°
• Cell volume: 881.72 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1958
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No