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Information card for entry 4109539
Preview
| Coordinates | 4109539.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 N O6 |
|---|---|
| Calculated formula | C13 H15 N O6 |
| Title of publication | Emergence of Solution-Phase Homochirality via Crystal Engineering of Amino Acids |
| Authors of publication | Martin Klussmann; Toshiko Izumi; Andrew J. P. White; Alan Armstrong; Donna G. Blackmond |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 7657 - 7660 |
| a | 5.499 ± 0.003 Å |
| b | 11.661 ± 0.005 Å |
| c | 11.909 ± 0.005 Å |
| α | 64.67 ± 0.04° |
| β | 78 ± 0.04° |
| γ | 84.17 ± 0.04° |
| Cell volume | 675.1 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0769 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 1.54248 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178841 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/95. |
4109539.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109539.cif |
| 58316 | 2012-05-28 | cif/ Adding structures of 4109539 via cif-deposit CGI script. |
4109539.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.