Information card for entry 2214619

Structure parameters

• Chemical name: (<i>E</i>)-4-(4-Methylstyryl)pyridine–(E)-but-2-enedioic acid (2/1)
• Formula: C32 H30 N2 O4
• Calculated formula: C32 H30 N2 O4
• SMILES: c1cc(ccn1)/C=C/c1ccc(C)cc1.c1cc(ccn1)/C=C/c1ccc(C)cc1.C(=O)(/C=C/C(=O)O)O
• Title of publication: (<i>E</i>)-4-(4-Methylstyryl)pyridine–(<i>E</i>)-but-2-enedioic acid (2/1)
• Authors of publication: Tian-Jia Bu; Bao Li; Li-Xin Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3466 - o3466
• a: 21.952 ± 0.001 Å
• b: 7.3477 ± 0.0003 Å
• c: 17 ± 0.0007 Å
• α: 90°
• β: 104.61 ± 0.002°
• γ: 90°
• Cell volume: 2653.4 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes