Information card for entry 2233528

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-[1,4-Phenylenebis(methylene)]bis(<i>N</i>,<i>N</i>- diethylethanaminium) dibromide
• Formula: C20 H38 Br2 N2
• Calculated formula: C20 H38 Br2 N2
• SMILES: CC[N+](CC)(CC)Cc1ccc(C[N+](CC)(CC)CC)cc1.[Br-].[Br-]
• Title of publication: <i>N</i>,<i>N</i>'-[1,4-Phenylenebis(methylene)]bis(<i>N</i>,<i>N</i>-diethylethanaminium) dibromide
• Authors of publication: Abdul Rahim, Munirah Sufiyah; Khaledi, Hamid; Alias, Yatimah; Welz-Biermann, Urs
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o369
• a: 8.2713 ± 0.0005 Å
• b: 14.144 ± 0.0009 Å
• c: 9.0762 ± 0.0006 Å
• α: 90°
• β: 97.634 ± 0.001°
• γ: 90°
• Cell volume: 1052.41 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0204
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes