Information card for entry 2209584

Structure parameters

• Common name: Cichonidinium bis(perchlorate)
• Chemical name: [(S)-quinolinium-4-yl][(2R,4R,8S)-8-vinylquinuclidinium-2-yl]methanol bis(perchlorate)
• Formula: C19 H24 Cl2 N2 O9
• Calculated formula: C19 H24 Cl2 N2 O9
• SMILES: Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O[C@H](c1c2c([nH+]cc1)cccc2)[C@H]1[NH+]2C[C@@H]([C@H](C1)CC2)C=C
• Title of publication: Cinchonidinium bis(perchlorate)
• Authors of publication: Zhi-Min Jin; Hui-Min Zhang; Bing Tu; Zhi-Yong Wu; Mao-Lin Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2614 - o2616
• a: 6.544 ± 0.001 Å
• b: 7.819 ± 0.002 Å
• c: 11.308 ± 0.002 Å
• α: 88.67 ± 0.02°
• β: 77.03 ± 0.01°
• γ: 83.85 ± 0.02°
• Cell volume: 560.6 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes