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Information card for entry 7220329
Preview
| Coordinates | 7220329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | L tyrosine ethyl ester |
|---|---|
| Chemical name | L tyrosine ethyl ester |
| Formula | C11 H15 N O3 |
| Calculated formula | C11 H15 N O3 |
| Title of publication | Thermodynamics by synchrotron X-ray diffraction: phase relationships and crystal structure ofl-tyrosine ethyl ester form III |
| Authors of publication | Nicolaï, Béatrice; Itié, Jean-Paul; Barrio, Maria; Tamarit, Josep-Lluìs; Rietveld, Ivo B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 3974 |
| a | 12.6554 ± 0.0036 Å |
| b | 16.0575 ± 0.0033 Å |
| c | 5.2045 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1057.6 ± 0.4 Å3 |
| Cell temperature | 308 ± 2 K |
| Ambient diffraction temperature | 308 ± 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 | 2.629 |
| Weighted residual factors for all reflections included in the refinement | 0.284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.636 |
| Diffraction radiation wavelength | 0.4499 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193997 (current) | 2017-03-06 | cif/ (antanas@echidna.ibt.lt) Removing the '_space_group' data item in entries 1543495, 4510563, 7040827, 7209130, 7220329, 8104524, 8104525 since it was not found in the core CIF dictionary and the same information was already provided in the official space group data items. No information was lost by removing this data item. |
7220329.cif |
| 138544 | 2015-06-07 | cif/ Updating files of 7220329 Original log message: Adding full bibliography for 7220329.cif. |
7220329.cif |
| 135832 | 2015-05-09 | cif/ Adding structures of 7220329 via cif-deposit CGI script. |
7220329.cif |
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Users of the data should acknowledge the original authors of the
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