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Information card for entry 7157217
Preview
| Coordinates | 7157217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H107.75 N10 O8.5 S |
|---|---|
| Calculated formula | C56 H107.75 N10 O8.5 S |
| Title of publication | Chelate effects in sulfate binding by amide/urea-based ligands. |
| Authors of publication | Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 25 |
| Pages of publication | 6953 - 6957 |
| a | 22.1618 ± 0.0009 Å |
| b | 23.5118 ± 0.0009 Å |
| c | 26.7043 ± 0.0011 Å |
| α | 95.763 ± 0.002° |
| β | 102.319 ± 0.002° |
| γ | 108.227 ± 0.002° |
| Cell volume | 12701 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1426 |
| Residual factor for significantly intense reflections | 0.1141 |
| Weighted residual factors for significantly intense reflections | 0.3157 |
| Weighted residual factors for all reflections included in the refinement | 0.3477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233465 (current) | 2019-11-23 | cif/ Adding structures of 7157216, 7157217, 7157218 via cif-deposit CGI script. |
7157217.cif |
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Users of the data should acknowledge the original authors of the
structural data.