Information card for entry 7214797

Structure parameters

• Formula: C13 H16 N2 O2
• Calculated formula: C13 H16 N2 O2
• SMILES: O=C([O-])C.[nH+]1c(cc(c2ccc(N)cc12)C)C
• 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: 17.755 ± 0.004 Å
• b: 7.4749 ± 0.0015 Å
• c: 18.786 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2493.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No