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Information card for entry 2104114
Preview
| Coordinates | 2104114.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | bis(23-carboxy-24-nor-5beta-cholan-3alpha-yl)terephtalate |
|---|---|
| Formula | C66 H92 N2 O8 |
| Calculated formula | C66 H92 N2 O8 |
| Title of publication | Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments |
| Authors of publication | Rychlewska, Urszula; Warżajtis, Beata; Joachimiak, Roman; Paryzek, Zdzisław |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2008 |
| Journal volume | 64 |
| Journal issue | 3 |
| Pages of publication | 383 - 392 |
| a | 6.8044 ± 0.0005 Å |
| b | 12.887 ± 0.0009 Å |
| c | 17.0661 ± 0.0011 Å |
| α | 94.431 ± 0.006° |
| β | 97.935 ± 0.006° |
| γ | 97.341 ± 0.005° |
| Cell volume | 1463.14 ± 0.18 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0863 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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