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Information card for entry 7222111
Preview
| Coordinates | 7222111.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H31 N O4 |
|---|---|
| Calculated formula | C18 H31 N O4 |
| SMILES | C1(=O)C(=C[C@](C(C)(C)C)([C@@H](C(=O)NCCCC)O)O1)C(C)(C)C.C1(=O)C(=C[C@@](C(C)(C)C)([C@H](C(=O)NCCCC)O)O1)C(C)(C)C |
| Title of publication | Electrode instead of catalyst and enzyme. A greener protocol for the synthesis of new 2-hydroxyacetamide derivatives containing a γ-lactone ring |
| Authors of publication | Maleki, Abbas; Nematollahi, Davood; Rasouli, Fereshteh; Zeinodini-Meimand, Azam |
| Journal of publication | Green Chem. |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 3 |
| Pages of publication | 672 |
| a | 9.384 ± 0.002 Å |
| b | 10.484 ± 0.002 Å |
| c | 11.281 ± 0.002 Å |
| α | 102.829 ± 0.017° |
| β | 94.191 ± 0.018° |
| γ | 113.456 ± 0.018° |
| Cell volume | 976.4 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1106 |
| Residual factor for significantly intense reflections | 0.0744 |
| Weighted residual factors for significantly intense reflections | 0.188 |
| Weighted residual factors for all reflections included in the refinement | 0.2092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7222111.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7222111.cif |
| 176121 | 2016-02-05 | cif/ Updating files of 7222111 Original log message: Adding full bibliography for 7222111.cif. |
7222111.cif |
| 155884 | 2015-09-12 | cif/ Adding structures of 7222111 via cif-deposit CGI script. |
7222111.cif |
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Users of the data should acknowledge the original authors of the
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