Information card for entry 7125767

Structure parameters

• Formula: C18 H17 N3 O4
• Calculated formula: C18 H17 N3 O4
• Title of publication: Metal-free cyclization of unsaturated hydrazones for the divergent assembly of pyrazolones and pyrazolines.
• Authors of publication: Liu, Xiaobing; Zhou, Yao; Song, Qiuling
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 61
• Pages of publication: 8943 - 8946
• a: 5.9361 ± 0.0007 Å
• b: 26.091 ± 0.003 Å
• c: 10.7999 ± 0.0011 Å
• α: 90°
• β: 98.444 ± 0.011°
• γ: 90°
• Cell volume: 1654.5 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0831
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No