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Information card for entry 1557820
Preview
| Coordinates | 1557820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3,3',5,5'-Tetrakis(2,3-dihydroxypropylcarbamoy1)-2,2',4,4',6,6'-hexaiodo-N,N'- (2-hydroxypropane-1,3-diy)diacetanilide monohydrate iodixanol |
|---|---|
| Formula | C35 H46 I6 N6 O16 |
| Calculated formula | C35 I6 N6 O17.5 |
| Title of publication | Molecular and Crystal Structure of Iodixanol, a New X-Ray Contrast Agent |
| Authors of publication | Tonnesen, Lisbeth Ehnebom; Pedersen, Berit Fjartoft; Klaveness, Jo |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1995 |
| Journal volume | 49 |
| Pages of publication | 433 - 440 |
| a | 16.864 ± 0.003 Å |
| b | 18.164 ± 0.003 Å |
| c | 19.36 ± 0.004 Å |
| α | 95.68 ± 0.02° |
| β | 102.43 ± 0.02° |
| γ | 114.56 ± 0.01° |
| Cell volume | 5147.4 ± 1.9 Å3 |
| Ambient diffraction temperature | 138 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 significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250934 (current) | 2020-04-20 | cif/ Adding structures of 1557820 via cif-deposit CGI script. |
1557820.cif |
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