Information card for entry 2237263

Structure parameters

• Chemical name: (3<i>E</i>,5<i>E</i>)-3,5-Bis(2-chlorobenzylidene)-1-propylpiperidin-4-one
• Formula: C22 H21 Cl2 N O
• Calculated formula: C22 H21 Cl2 N O
• SMILES: Clc1c(/C=C\2C(=O)C(=C\c3ccccc3Cl)\CN(C2)CCC)cccc1
• Title of publication: (3<i>E</i>,5<i>E</i>)-3,5-Bis(2-chlorobenzylidene)-1-propylpiperidin-4-one
• Authors of publication: Yang, Quanzhi; Chen, Lingzi; Weng, Bixia; Fan, Lei; Wu, Xiaoping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o63
• a: 18.0123 ± 0.0015 Å
• b: 7.0128 ± 0.0006 Å
• c: 15.4364 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1949.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes