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Information card for entry 7157218
Preview
| Coordinates | 7157218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H109 N11 O8 S |
|---|---|
| Calculated formula | C57 H108.999 N11 O8 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 | 59.086 ± 0.002 Å |
| b | 9.0002 ± 0.0004 Å |
| c | 18.4644 ± 0.0006 Å |
| α | 90.05 ± 0.002° |
| β | 105.8 ± 0.002° |
| γ | 89.986 ± 0.002° |
| Cell volume | 9448.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | C 1 |
| Hall space group symbol | C 1 |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1353 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| 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. |
7157218.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.