Information card for entry 7202737

Structure parameters

• Common name: 1-methyl-4-(2-(9-ethyl carbazol-3-yl)vinyl)pyridinium tosylate
• Chemical name: 1-methyl-4-[2-(9-ethyl carbazol-3-yl)vinyl]pyridinium tosylate
• Formula: C29 H28 N2 O3 S
• Calculated formula: C29 H28 N2 O3 S
• SMILES: S(=O)(=O)([O-])c1ccc(C)cc1.[n+]1(ccc(cc1)/C=C/c1ccc2n(CC)c3ccccc3c2c1)C
• Title of publication: From supermolecular sheet to helix by breaking molecular symmetry: the case of 4-[2-(carbazol-3-yl)vinyl] pyridium tosylate
• Authors of publication: Gu, Jie; Chen, Wei-Qiang; Wada, Tatsuo; Hashizume, Daisuke; Duan, Xuan-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 541
• a: 6.7781 ± 0.0009 Å
• b: 13.5566 ± 0.0018 Å
• c: 26.631 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2447.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No