Information card for entry 7214796

Structure parameters

• Formula: C13 H19 Cl N2 O S
• Calculated formula: C13 H19 Cl N2 O S
• SMILES: [Cl-].S(=O)(C)C.[nH+]1c2c(c(cc1C)C)ccc(N)c2
• Title of publication: The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties
• Authors of publication: Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7275
• a: 6.9883 ± 0.0014 Å
• b: 17.034 ± 0.003 Å
• c: 12.698 ± 0.003 Å
• α: 90°
• β: 99.88 ± 0.03°
• γ: 90°
• Cell volume: 1489.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No