Information card for entry 7034463

Structure parameters

• Chemical name: (NMe4)[OCOC6H3{NHCOC(C6H4-t-Bu)3}(NHCO-n-Bu)]-2(H2O)-dioxane
• Formula: C52 H77 N3 O8
• Calculated formula: C52 H73 N3 O8
• Title of publication: Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NHO hydrogen bonds in nonpolar solvents.
• Authors of publication: Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7512 - 7523
• a: 11.5622 ± 0.0009 Å
• b: 11.6068 ± 0.0008 Å
• c: 19.7688 ± 0.0014 Å
• α: 92.302 ± 0.006°
• β: 105.78 ± 0.007°
• γ: 100.231 ± 0.007°
• Cell volume: 2501.4 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No