Information card for entry 7151695

Structure parameters

• Formula: C20 H16 N2 O
• Calculated formula: C20 H16 N2 O
• SMILES: COc1ccccc1c1cccc2cc(c3ccccc3)nn12
• 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: 23.0916 ± 0.0013 Å
• b: 7.3204 ± 0.0004 Å
• c: 38.0041 ± 0.0018 Å
• α: 90°
• β: 97.32 ± 0.003°
• γ: 90°
• Cell volume: 6371.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No