Information card for entry 8106641

Structure parameters

• Formula: C22 H22 N2 O5
• Calculated formula: C22 H22 N2 O5
• Title of publication: Crystal structure of ethyl 3-(4-methoxyphenyl)-1-(2-(4-methoxyphenyl)-2-oxoethyl)-1H-pyrazole-5-carboxylate, C22H22N2O5
• Authors of publication: Zhou, Jinhui; Zheng, Liangwen; Liu, Jing; Guo, Yongen; Ding, Lin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 679 - 680
• a: 7.592 ± 0.002 Å
• b: 9.835 ± 0.003 Å
• c: 13.579 ± 0.004 Å
• α: 86.6 ± 0.003°
• β: 83.755 ± 0.003°
• γ: 89.549 ± 0.003°
• Cell volume: 1006.1 ± 0.5 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No