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Information card for entry 4060206
Preview
| Coordinates | 4060206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H44 N6 O19 S4 |
|---|---|
| Calculated formula | C25 H20 N6 O15 |
| Title of publication | Design of a Synthetic Foldamer that Modifies the Growth of Calcite Crystals |
| Authors of publication | Lara A. Estroff; Christopher D. Incarvito; Andrew D. Hamilton |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 2 - 3 |
| a | 13.6343 ± 0.0014 Å |
| b | 14.1508 ± 0.0014 Å |
| c | 23.889 ± 0.002 Å |
| α | 86.844 ± 0.002° |
| β | 82.792 ± 0.002° |
| γ | 71.115 ± 0.002° |
| Cell volume | 4325.9 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1871 |
| Residual factor for significantly intense reflections | 0.1289 |
| Weighted residual factors for significantly intense reflections | 0.3155 |
| Weighted residual factors for all reflections included in the refinement | 0.333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.479 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.