Information card for entry 2224663

Structure parameters

• Chemical name: (2<i>S</i>,6<i>S</i>)-1-Methyl-2,6-<i>trans</i>-distyrylpiperidinium chloride
• Formula: C22 H26 Cl N
• Calculated formula: C22 H26 Cl N
• SMILES: [Cl-].[NH+]1(C)[C@@H](CCC[C@H]1/C=C/c1ccccc1)/C=C/c1ccccc1
• Title of publication: (2<i>S</i>,6<i>S</i>)-1-Methyl-2,6-<i>trans</i>-distyrylpiperidinium chloride
• Authors of publication: Zheng, Guangrong; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o78
• a: 9.9355 ± 0.0004 Å
• b: 12.3075 ± 0.0005 Å
• c: 15.8299 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1935.7 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes