Information card for entry 7152538

Structure parameters

• Formula: C27 H22 N2 O2
• Calculated formula: C27 H22 N2 O2
• SMILES: COc1ccc(cc1)c1ccc2cc(c3ccccc3)nn2c1c1ccccc1OC
• Title of publication: Au(i)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines.
• Authors of publication: Wu, Hung-Chou; Yang, Chia-Wen; Hwang, Long-Chih; Wu, Ming-Jung
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 33
• Pages of publication: 6640 - 6648
• a: 11.123 ± 0.005 Å
• b: 7.632 ± 0.004 Å
• c: 12.7 ± 0.005 Å
• α: 90°
• β: 90.39 ± 0.01°
• γ: 90°
• Cell volume: 1078.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No