Information card for entry 7125766

Structure parameters

• Formula: C11.333 H10 Cl0.667 N1.333 O0.667
• Calculated formula: C11.3333 H10 Cl0.666667 N1.33333 O0.666667
• 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: 9.9754 ± 0.0007 Å
• b: 14.0802 ± 0.0015 Å
• c: 10.6923 ± 0.0009 Å
• α: 90°
• β: 91.036 ± 0.006°
• γ: 90°
• Cell volume: 1501.5 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9498
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No