Information card for entry 1557957

Structure parameters

• Common name: 1'-(Ethyloxycarbonyloxy)-ethy1-5-acetylamino-3(N-methylacetylamino)-2,4,6- triiodobenzene carboxylate
• Formula: C17 H19 I3 N2 O7
• Calculated formula: C17 I3 N2 O7
• Title of publication: Structural Studies of a Particulate X-Ray Contrast Agent: a Multi-Method Approach
• Authors of publication: Tonnesen, Lisbeth Ehnebom; Fossheim, Rune; Klaveness, Jo; Pedersen, Berit Fjaertoft; Thomassen, Terje
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1995
• Journal volume: 49
• Pages of publication: 625 - 631
• a: 10.489 ± 0.003 Å
• b: 11.677 ± 0.006 Å
• c: 19.466 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2384.2 ± 1.6 ų
• Ambient diffraction temperature: 138 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No