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Information card for entry 4123380
Preview
| Coordinates | 4123380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | D-pyroglutamic acid |
|---|---|
| Formula | C5 H7 N O3 |
| Calculated formula | C5 H7 N O3 |
| SMILES | OC(=O)[C@@H]1NC(=O)CC1 |
| Title of publication | Perpetually self-propelling chiral single crystals. |
| Authors of publication | Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 5 |
| Pages of publication | 1895 - 1902 |
| a | 8.9496 ± 0.0003 Å |
| b | 13.2294 ± 0.0004 Å |
| c | 14.5958 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1728.11 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179035 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/33. |
4123380.cif |
| 132906 | 2015-03-04 | cif/ Updating files of 4123369, 4123370, 4123371, 4123372, 4123373, 4123374, 4123375, 4123376, 4123377, 4123378, 4123379, 4123380, 4123381, 4123382, 4123383, 4123384, 4123385 Original log message: Adding full bibliography for 4123369--4123385.cif. |
4123380.cif |
| 130598 | 2015-02-04 | cif/ Adding structures of 4123379, 4123380, 4123381, 4123382, 4123383, 4123384, 4123385 via cif-deposit CGI script. |
4123380.cif |
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Users of the data should acknowledge the original authors of the
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