Information card for entry 2226751

Structure parameters

• Chemical name: 1-Diphenylmethyl-4-ethylpiperazine-1,4-diium dichloride
• Formula: C19 H26 Cl2 N2
• Calculated formula: C19 H26 Cl2 N2
• SMILES: c1ccc(cc1)C(c1ccccc1)[NH+]1CC[NH+](CC1)CC.[Cl-].[Cl-]
• Title of publication: 1-Diphenylmethyl-4-ethylpiperazine-1,4-diium dichloride
• Authors of publication: Qiao, Hong-Yun; Xu, Su-Hai; Jiang, He-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1861
• a: 15.069 ± 0.003 Å
• b: 7.295 ± 0.0015 Å
• c: 18.565 ± 0.004 Å
• α: 90°
• β: 106.35 ± 0.03°
• γ: 90°
• Cell volume: 1958.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes