Information card for entry 2205882

Structure parameters

• Chemical name: Ethyl 2-{[(1Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydropyrazol-4- ylidene)(phenyl)methyl]amino}-3-phenylpropanoate
• Formula: C28 H27 N3 O3
• Calculated formula: C28 H27 N3 O3
• Title of publication: Ethyl 2-{[(1<i>Z</i>)-(3-methyl-5-oxo-1-phenyl-1,5-dihydropyrazol-4-ylidene)(phenyl)methyl]amino}-3-phenylpropanoate
• Authors of publication: Xin Zhang; Hua-Ling Zhu; Hai-Zhen Xu; Mei Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1629 - o1630
• a: 10.521 ± 0.003 Å
• b: 16.629 ± 0.005 Å
• c: 14.08 ± 0.004 Å
• α: 90°
• β: 105.315 ± 0.005°
• γ: 90°
• Cell volume: 2375.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0948
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes