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Information card for entry 4116296
Preview
| Coordinates | 4116296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H27 Br Cl2 N4 O10 Zn |
|---|---|
| Calculated formula | C16 H27 Br Cl2 N4 O10 Zn |
| Title of publication | Dynamic Enolate Recognition in Aqueous Solution by Zinc(II) in a Phenacyl-Pendant Cyclen Complex: Implications for the Role of Zinc(II) in Class II Aldolases |
| Authors of publication | Eiichi Kimura; Teruhiro Gotoh; Tohru Koike; Motoo Shiro |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 1267 - 1274 |
| a | 12.221 ± 0.008 Å |
| b | 11.052 ± 0.007 Å |
| c | 18.194 ± 0.009 Å |
| α | 90° |
| β | 97.12 ± 0.03° |
| γ | 90° |
| Cell volume | 2438 ± 3 Å3 |
| Cell temperature | 298.2 K |
| Ambient diffraction temperature | 298.2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0461 |
| Goodness-of-fit parameter for significantly intense reflections | 1.181 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4116296.cif |
| 70906 | 2013-01-11 | cif/ Adding structures of 4116296 via cif-deposit CGI script. |
4116296.cif |
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Users of the data should acknowledge the original authors of the
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