Information card for entry 2201344

Structure parameters

• Chemical name: (Z)-4-(4-{4-[(Z)-1-Methyl-3-oxobut-1-enylamino]phenoxy}phenylamino)pent-3-en- 2-one
• Formula: C22 H24 N2 O3
• Calculated formula: C22 H24 N2 O3
• SMILES: O(c1ccc(N/C(C)=C\C(=O)C)cc1)c1ccc(N/C(C)=C\C(=O)C)cc1
• Title of publication: (<i>Z</i>)-4-(4-{4-[(<i>Z</i>)-1-Methyl-3-oxobut-1-enylamino]phenoxy}phenylamino)pent-3-en-2-one
• Authors of publication: Yanhua, Feng; Xianhong, Yin; Lin, Chen; Minyu, Tan; Kaibei, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1154 - o1156
• a: 8.769 ± 0.001 Å
• b: 20.073 ± 0.004 Å
• c: 11.928 ± 0.002 Å
• α: 90°
• β: 107.53 ± 0.01°
• γ: 90°
• Cell volume: 2002.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes