Information card for entry 1544310

Structure parameters

• Chemical name: 4,4'-[(1<i>E</i>,1'<i>E</i>)-(2-Chloropyrimidine-4,6-diyl)bis(ethene-2,1-diyl)]bis(<i>N</i>,<i>N</i>-diethylaniline)
• Formula: C28 H33 Cl N4
• Calculated formula: C28 H33 Cl N4
• SMILES: Clc1nc(cc(n1)/C=C/c1ccc(N(CC)CC)cc1)/C=C/c1ccc(N(CC)CC)cc1
• Title of publication: 4,4'-[(1<i>E</i>,1'<i>E</i>)-(2-Chloropyrimidine-4,6-diyl)bis(ethene-2,1-diyl)]bis(<i>N</i>,<i>N</i>-diethylaniline)
• Authors of publication: Hu, Lei; Wang, Hui; Zhang, Qiong
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161590
• a: 11.791 ± 0.005 Å
• b: 15.005 ± 0.005 Å
• c: 14.711 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.716 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2599.8 ± 1.7 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: 0.1714
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes