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Information card for entry 2240469
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| Coordinates | 2240469.cif |
|---|---|
| Structure factors | 2240469.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 2-[2-(2-{[(Benzyloxy)carbonyl]amino}acetamido)acetamido]pentanoic acid |
|---|---|
| Chemical name | <i>N</i>-(Benzyloxycarbonyl)glycylglycyl-<i>L</i>-norvaline |
| Formula | C17 H23 N3 O6 |
| Calculated formula | C17 H23 N3 O6 |
| SMILES | c1ccccc1COC(=O)NCC(=O)NCC(=O)N[C@@H](CCC)C(=O)O |
| Title of publication | Crystal structure of the tripeptide <i>N</i>-(benzyloxycarbonyl)glycylglycyl-<small>L</small>-norvaline |
| Authors of publication | Nicholas, Sumesh |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | o216 - o217 |
| a | 4.9857 ± 0.0006 Å |
| b | 19.372 ± 0.002 Å |
| c | 19.476 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1881.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1489 |
| Residual factor for significantly intense reflections | 0.083 |
| Weighted residual factors for significantly intense reflections | 0.2037 |
| Weighted residual factors for all reflections included in the refinement | 0.2487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240469.cif 2240469.hkl |
| 181904 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240469.cif 2240469.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240469.cif 2240469.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240469.cif 2240469.hkl |
| 132573 | 2015-02-28 | cif/ hkl/ Adding structures of 2240469 via cif-deposit CGI script. |
2240469.cif 2240469.hkl |
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Users of the data should acknowledge the original authors of the
structural data.