Information card for entry 2215163

Structure parameters

• Chemical name: 1,10-Diazonia-18-crown-6 dichloride
• Formula: C12 H28 Cl2 N2 O4
• Calculated formula: C12 H28 Cl2 N2 O4
• SMILES: O1CC[NH2+]CCOCCOCC[NH2+]CCOCC1.[Cl-].[Cl-]
• Title of publication: 1,10-Diazonia-18-crown-6 dichloride
• Authors of publication: Mohammad Yousefi; Amani, Vahid; Hamid Reza, Khavasi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3782 - o3782
• a: 9.5461 ± 0.0019 Å
• b: 5.6297 ± 0.0011 Å
• c: 15.688 ± 0.003 Å
• α: 90°
• β: 90.7 ± 0.03°
• γ: 90°
• Cell volume: 843 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes