Information card for entry 1547205

Structure parameters

• Chemical name: 1,4,10,13-Tetraoxa-7,16-diazoniumcyclo- octadecane bis(4-chloro-2-methyl-phenoxyacetate)
• Formula: C15 H22 Cl N O5
• Calculated formula: C15 H22 Cl N O5
• Title of publication: Synthesis and Crystal Structure of 1,4,10,13-Tetraoxa-7,16-diazoniumcyclo- octadecane bis(4-chloro-2-methyl-phenoxyacetate)
• Authors of publication: Adamovich, S. N.; Mirskova, A. N.; Mirskov, R. G.; Schilde, Uwe
• Journal of publication: Chemistry Central Journal20115:23
• Year of publication: 2011
• Journal volume: 5
• Pages of publication: 23
• a: 7.5342 ± 0.0006 Å
• b: 9.1935 ± 0.0008 Å
• c: 12.8532 ± 0.001 Å
• α: 97.624 ± 0.007°
• β: 93.34 ± 0.006°
• γ: 108.945 ± 0.006°
• Cell volume: 829.73 ± 0.12 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No