Information card for entry 7205191

Structure parameters

• Common name: 1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate - methanol (2:1)
• Formula: C37 H40 N2 O7 S2
• Calculated formula: C37 H40 N2 O7 S2
• SMILES: [n+]1(ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1cc[n+](cc1)C)C.S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.OC
• Title of publication: Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues
• Authors of publication: Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1373
• a: 10.9786 ± 0.0003 Å
• b: 12.2743 ± 0.0004 Å
• c: 14.0937 ± 0.0004 Å
• α: 88.107 ± 0.002°
• β: 87.121 ± 0.002°
• γ: 63.853 ± 0.002°
• Cell volume: 1702.56 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No